(Q27138754)

CHEBI:70416 (English)

7 October 2016

chemical formula

C₃₁H₅₂O₃

1 reference

CHEBI:70416 (English)

7 October 2016

canonical SMILES

CC1(CCC2(CCC3(C4CCC5(C(C4(CCC3(C2C1)C)C)CCC(C5CC(=O)O)O)C)C)C)C

1 reference

CHEBI:70416 (English)

7 October 2016

isomeric SMILES

C[C@@]12CC[C@@]3([C@H]4CC[C@]5([C@H]([C@@]4(CC[C@]3([C@@H]1CC(CC2)(C)C)C)C)CC[C@@H]([C@@H]5CC(=O)O)O)C)C

1 reference

CHEBI:70416 (English)

InChI=1S/C31H52O3/c1-26(2)12-13-27(3)14-16-30(6)23-10-11-28(4)20(18-25(33)34)21(32)8-9-22(28)29(23,5)15-17-31(30,7)24(27)19-26/h20-24,32H,8-19H2,1-7H3,(H,33,34)/t20-,21-,22+,23-,24+,27+,28+,29-,30+,31-/m0/s1

7 October 2016

Identifiers

InChI

1 reference

CHEBI:70416 (English)

MCQITBJTZHPOCF-NOHCWTEQSA-N

7 October 2016

InChIKey

2 references

CHEBI:70416 (English)

7 October 2016

stated in

ChEBI release 2020-09-01

1 reference

[(3S,4R,4aS,6aS,6bR,8aR,12aR,12bS,14aS,14bS)-3-Hydroxy-4a,6b,8a,11,11,12b,14a-heptamethyldocosahydro-4-picenyl]acetic acid (English)

7 October 2016

2 references

CHEBI:70416 (English)

matched by identifier from

7 October 2016

InChIKey

MCQITBJTZHPOCF-NOHCWTEQSA-N

ChEBI ID

70416

mapping relation type

2 references

3beta-hydroxyfriedelan-23-oic acid (English)

matched by identifier from

7 October 2016

International Chemical Identifier

InChI

InChI=1S/C31H52O3/c1-26(2)12-13-27(3)14-16-30(6)23-10-11-28(4)20(18-25(33)34)21(32)8-9-22(28)29(23,5)15-17-31(30,7)24(27)19-26/h20-24,32H,8-19H2,1-7H3,(H,33,34)/t20-,21-,22+,23-,24+,27+,28+,29-,30+,31-/m0/s1

1 reference