4-[(3R,5R,10S,13R,17R)-3-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid (Q27166966)

Spectrum_001170 (English)

10 October 2016

chemical formula

C₂₄H₄₀O₃

1 reference

Spectrum_001170 (English)

10 October 2016

canonical SMILES

CC(CCC(=O)O)C1CCC2C1(CCC3C2CCC4C3(CCC(C4)O)C)C

1 reference

Spectrum_001170 (English)

10 October 2016

isomeric SMILES

CC(CCC(=O)O)[C@H]1CCC2[C@@]1(CCC3C2CC[C@H]4[C@@]3(CC[C@H](C4)O)C)C

1 reference

Spectrum_001170 (English)

InChI=1S/C24H40O3/c1-15(4-9-22(26)27)19-7-8-20-18-6-5-16-14-17(25)10-12-23(16,2)21(18)11-13-24(19,20)3/h15-21,25H,4-14H2,1-3H3,(H,26,27)/t15?,16-,17-,18?,19-,20?,21?,23+,24-/m1/s1

10 October 2016

Identifiers

InChI

1 reference

Spectrum_001170 (English)

SMEROWZSTRWXGI-IENBECQSSA-N

10 October 2016

InChIKey

2 references

Spectrum_001170 (English)

10 October 2016

stated in

ChEBI release 2020-09-01

1 reference

(3alpha,5beta,8xi,9xi,14xi,17alpha,20S)-3-Hydroxycholan-24-oic acid (English)

10 October 2016

2 references

Spectrum_001170 (English)

matched by identifier from

10 October 2016

InChIKey

SMEROWZSTRWXGI-IENBECQSSA-N

ChEBI ID

95166

mapping relation type

2 references

4-[(3R,5R,10S,13R,17R)-3-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid (English)