gaudichaudiic acid I (Q27134454)

(2E)-4-[(1S,3aR,5R,16aR)-6-ethoxy-8-hydroxy-3,3,10,13,13-pentamethyl-15-(2-methylbut-3-en-2-yl)-7,17-dioxo-3a,4,5,6,6a,7-hexahydro-3H,13H-1,5-methanofuro[3,4-g]isochromeno[4,3-b]xanthen-1-yl]-2-methylbut-2-enoic acid (English)

retrieved

7 October 2016

chemical formula

C₄₀H₄₆O₉

1 reference

language of work or name

English

title

(2E)-4-[(1S,3aR,5R,16aR)-6-ethoxy-8-hydroxy-3,3,10,13,13-pentamethyl-15-(2-methylbut-3-en-2-yl)-7,17-dioxo-3a,4,5,6,6a,7-hexahydro-3H,13H-1,5-methanofuro[3,4-g]isochromeno[4,3-b]xanthen-1-yl]-2-methylbut-2-enoic acid (English)

retrieved

7 October 2016

canonical SMILES

CCOC1C2CC3C(OC(C2=O)(C34C1C(=O)C5=C(C6=C(C(=C5O4)C(C)(C)C=C)OC(C7=C6C=C(C=C7)C)(C)C)O)CC=C(C)C(=O)O)(C)C

1 reference

language of work or name

English

title

(2E)-4-[(1S,3aR,5R,16aR)-6-ethoxy-8-hydroxy-3,3,10,13,13-pentamethyl-15-(2-methylbut-3-en-2-yl)-7,17-dioxo-3a,4,5,6,6a,7-hexahydro-3H,13H-1,5-methanofuro[3,4-g]isochromeno[4,3-b]xanthen-1-yl]-2-methylbut-2-enoic acid (English)

retrieved

7 October 2016

isomeric SMILES

CCOC1[C@H]2C[C@H]3[C@@]4(C1C(=O)C5=C(C6=C(C(=C5O4)C(C)(C)C=C)OC(C7=C6C=C(C=C7)C)(C)C)O)[C@@](C2=O)(OC3(C)C)C/C=C(\C)/C(=O)O

1 reference

language of work or name

English

title

(2E)-4-[(1S,3aR,5R,16aR)-6-ethoxy-8-hydroxy-3,3,10,13,13-pentamethyl-15-(2-methylbut-3-en-2-yl)-7,17-dioxo-3a,4,5,6,6a,7-hexahydro-3H,13H-1,5-methanofuro[3,4-g]isochromeno[4,3-b]xanthen-1-yl]-2-methylbut-2-enoic acid (English)

retrieved

7 October 2016

Identifiers

InChI

InChI=1S/C40H46O9/c1-11-36(5,6)28-32-25(21-17-19(3)13-14-23(21)37(7,8)47-32)29(41)26-30(42)27-31(46-12-2)22-18-24-38(9,10)49-39(34(22)43,16-15-20(4)35(44)45)40(24,27)48-33(26)28/h11,13-15,17,22,24,27,31,41H,1,12,16,18H2,2-10H3,(H,44,45)/b20-15+/t22-,24-,27?,31?,39-,40-/m1/s1

1 reference

language of work or name

English

title

(2E)-4-[(1S,3aR,5R,16aR)-6-ethoxy-8-hydroxy-3,3,10,13,13-pentamethyl-15-(2-methylbut-3-en-2-yl)-7,17-dioxo-3a,4,5,6,6a,7-hexahydro-3H,13H-1,5-methanofuro[3,4-g]isochromeno[4,3-b]xanthen-1-yl]-2-methylbut-2-enoic acid (English)

retrieved

7 October 2016

InChIKey

XRWTUHQDTBWRSS-AACCTTACSA-N

2 references

language of work or name

English

title

(2E)-4-[(1S,3aR,5R,16aR)-6-ethoxy-8-hydroxy-3,3,10,13,13-pentamethyl-15-(2-methylbut-3-en-2-yl)-7,17-dioxo-3a,4,5,6,6a,7-hexahydro-3H,13H-1,5-methanofuro[3,4-g]isochromeno[4,3-b]xanthen-1-yl]-2-methylbut-2-enoic acid (English)

retrieved

7 October 2016

stated in

ChEBI release 2020-09-01

1 reference

language of work or name

English

title

(2E)-4-[(1R,2R,21R,23S)-20-Ethoxy-16-hydroxy-8,8,12,25,25-pentamethyl-5-(2-methyl-3-buten-2-yl)-18,22-dioxo-3,7,24-trioxaheptacyclo[19.4.1.0~2,19~.0~2,23~.0~4,17~.0~6,15~.0~9,14~]hexacosa-4(17),5,9,11 (English)

7 October 2016

2 references

language of work or name

English

title

(2E)-4-[(1S,3aR,5R,16aR)-6-ethoxy-8-hydroxy-3,3,10,13,13-pentamethyl-15-(2-methylbut-3-en-2-yl)-7,17-dioxo-3a,4,5,6,6a,7-hexahydro-3H,13H-1,5-methanofuro[3,4-g]isochromeno[4,3-b]xanthen-1-yl]-2-methylbut-2-enoic acid (English)

retrieved

7 October 2016

matched by identifier from

InChIKey

XRWTUHQDTBWRSS-AACCTTACSA-N

Reaxys registry number

8749911

1 reference