(1S,5R,7S)-3-[(3,4-dihydroxyphenyl)-oxomethyl]-6,6-dimethyl-5,7-bis(3-methylbut-2-enyl)-1-[(2S)-5-methyl-2-(1-methylethenyl)hex-4-enyl]bicyclo[3.3.1]nonane-2,4,9-trione (Q27215994)

BRD-A47268303-001-01-7 (English)

11 October 2016

chemical formula

C₃₈H₅₀O₆

1 reference

BRD-A47268303-001-01-7 (English)

11 October 2016

canonical SMILES

CC(=CCC1CC2(C(=O)C(C(=O)C(C2=O)(C1(C)C)CC=C(C)C)C(=O)C3=CC(=C(C=C3)O)O)CC(CC=C(C)C)C(=C)C)C

1 reference

BRD-A47268303-001-01-7 (English)

11 October 2016

isomeric SMILES

CC(=CC[C@H]1C[C@]2(C(=O)C(C(=O)[C@](C2=O)(C1(C)C)CC=C(C)C)C(=O)C3=CC(=C(C=C3)O)O)C[C@H](CC=C(C)C)C(=C)C)C

1 reference

BRD-A47268303-001-01-7 (English)

InChI=1S/C38H50O6/c1-22(2)11-13-27(25(7)8)20-37-21-28(15-12-23(3)4)36(9,10)38(35(37)44,18-17-24(5)6)34(43)31(33(37)42)32(41)26-14-16-29(39)30(40)19-26/h11-12,14,16-17,19,27-28,31,39-40H,7,13,15,18,20-21H2,1-6,8-10H3/t27-,28-,31?,37-,38+/m0/s1

11 October 2016

Identifiers

InChI

1 reference

BRD-A47268303-001-01-7 (English)

YESGFVCPMZHDNK-NVCNTAHISA-N

11 October 2016

InChIKey

2 references

BRD-A47268303-001-01-7 (English)

11 October 2016

stated in

ChEBI release 2020-09-01

2 references

BRD-A47268303-001-01-7 (English)

matched by identifier from

11 October 2016

InChIKey

YESGFVCPMZHDNK-NVCNTAHISA-N

ChEBI ID

125404

mapping relation type

2 references

(1S,5R,7S)-3-[(3,4-dihydroxyphenyl)-oxomethyl]-6,6-dimethyl-5,7-bis(3-methylbut-2-enyl)-1-[(2S)-5-methyl-2-(1-methylethenyl)hex-4-enyl]bicyclo[3.3.1]nonane-2,4,9-trione (English)