cumingianoside D (Q27134176)

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chemical compound

3-O-acetyl-3alpha,7alpha,23,24-tetrahydroxy-14,18-cycloapoeuph-25-enyl 7-O-beta-D-(6'-O-acetyl)glucopyranoside

Language	Label	Description	Also known as
English	cumingianoside D	chemical compound	3-O-acetyl-3alpha,7alpha,23,24-tetrahydroxy-14,18-cycloapoeuph-25-enyl 7-O-beta-D-(6'-O-acetyl)glucopyranoside

Statements

type of chemical entity

0 references

[6-[[7-Acetyloxy-15-(4,5-dihydroxy-6-methylhept-6-en-2-yl)-2,6,6,10-tetramethyl-3-pentacyclo[12.3.1.01,14.02,11.05,10]octadecanyl]oxy]-3,4,5-trihydroxyoxan-2-yl]methyl acetate

1 reference

based on heuristic

inferred from InChIKey

720.444863±0 dalton

1 reference

language of work or name

CHEBI:65692 (English)

7 October 2016

stereoisomer of

[(2R,3S,4S,5R,6R)-6-{[(1S,2R,3R,5R,7R,10S,11R,14R,15S)-7-(acetyloxy)-15-[(2R,4S,5S)-4,5-dihydroxy-6-methylhept-6-en-2-yl]-2,6,6,10-tetramethylpentacyclo[12.3.1.0¹,¹⁴.0²,¹¹.0⁵,¹⁰]octadecan-3-yl]oxy}-3,4,5-trihydroxyoxan-2-yl]methyl acetate

1 reference

based on heuristic

inferred from InChI

chemical formula

C₄₀H₆₄O₁₁

1 reference

language of work or name

CHEBI:65692 (English)

7 October 2016

canonical SMILES

CC(CC(C(C(=C)C)O)O)C1CCC23C1(C2)CCC4C3(C(CC5C4(CCC(C5(C)C)OC(=O)C)C)OC6C(C(C(C(O6)COC(=O)C)O)O)O)C

1 reference

language of work or name

CHEBI:65692 (English)

7 October 2016

isomeric SMILES

C[C@@H](C[C@H]([C@@H](C(=C)C)O)O)[C@@H]1CC[C@@]23[C@@]1(C2)CC[C@H]4[C@]3([C@@H](C[C@@H]5[C@@]4(CC[C@H](C5(C)C)OC(=O)C)C)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)COC(=O)C)O)O)O)C

1 reference

language of work or name

CHEBI:65692 (English)

7 October 2016

Dysoxylum cumingianum

4 references

Anti-tumor agents. 136. Cumingianosides A-F, potent antileukemic new triterpene glucosides, and cumindysosides A and B, trisnor- and tetranortriterpene glucosides with a 14,18-cycloapoeuphane-type skeleton from Dysoxylum cumingianum

Antitumor agents. 168. Dysoxylum cumingianum. IV. The structures of cumingianosides G-O, new triterpene glucosides with a 14,18-cycloapotirucallane-type skeleton from Dysoxylum cumingianum, and their cytotoxicity against human cancer cell lines

Anti-tumor agents. 136. Cumingianosides A-F, potent antileukemic new triterpene glucosides, and cumindysosides A and B, trisnor- and tetranortriterpene glucosides with a 14,18-cycloapoeuphane-type skeleton from Dysoxylum cumingianum

Antitumor agents. 168. Dysoxylum cumingianum. IV. The structures of cumingianosides G-O, new triterpene glucosides with a 14,18-cycloapotirucallane-type skeleton from Dysoxylum cumingianum, and their cytotoxicity against human cancer cell lines

Epicharis cumingiana

2 references

Antitumor agents. 168. Dysoxylum cumingianum. IV. The structures of cumingianosides G-O, new triterpene glucosides with a 14,18-cycloapotirucallane-type skeleton from Dysoxylum cumingianum, and their cytotoxicity against human cancer cell lines

Anti-tumor agents. 136. Cumingianosides A-F, potent antileukemic new triterpene glucosides, and cumindysosides A and B, trisnor- and tetranortriterpene glucosides with a 14,18-cycloapoeuphane-type skeleton from Dysoxylum cumingianum

Identifiers

InChI=1S/C40H64O11/c1-20(2)31(44)25(43)16-21(3)24-10-15-40-19-39(24,40)14-11-27-37(8)13-12-29(49-23(5)42)36(6,7)28(37)17-30(38(27,40)9)51-35-34(47)33(46)32(45)26(50-35)18-48-22(4)41/h21,24-35,43-47H,1,10-19H2,2-9H3/t21-,24-,25+,26+,27+,28-,29+,30+,31+,32+,33-,34+,35-,37+,38-,39+,40+/m0/s1

1 reference

language of work or name

CHEBI:65692 (English)

7 October 2016

PVMHLUQSCKSBOW-AJQNEZDESA-N

2 references

language of work or name

CHEBI:65692 (English)

7 October 2016

ChEBI release 2020-09-01

1 reference

language of work or name

(3alpha,7alpha,17alpha,20S,23R,24R)-7-[(6-O-Acetyl-beta-D-glucopyranosyl)oxy]-23,24-dihydroxy-13,30-cyclodammar-25-en-3-yl acetate (English)

7 October 2016

2 references

language of work or name

CHEBI:65692 (English)

7 October 2016

matched by identifier from

PVMHLUQSCKSBOW-AJQNEZDESA-N

Reaxys registry number

5844003

1 reference

language of work or name

cumingianoside D (English)

7 October 2016

mapping relation type

2 references

language of work or name

cumingianoside D (English)

7 October 2016

matched by identifier from

International Chemical Identifier

InChI=1S/C40H64O11/c1-20(2)31(44)25(43)16-21(3)24-10-15-40-19-39(24,40)14-11-27-37(8)13-12-29(49-23(5)42)36(6,7)28(37)17-30(38(27,40)9)51-35-34(47)33(46)32(45)26(50-35)18-48-22(4)41/h21,24-35,43-47H,1,10-19H2,2-9H3/t21-,24-,25+,26+,27+,28-,29+,30+,31+,32+,33-,34+,35-,37+,38-,39+,40+/m0/s1

1 reference

language of work or name

CUMINGIANOSIDE D (English)

7 October 2016

UniChem compound ID

1 reference

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