(4R)-4-[(3R,5R,8R,9S,10S,13R,14S,17S)-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 (Q27166332)

inferred from SMILES

mass

376.298±0 dalton

1 reference

BRD-K04497194-001-01-3 (English)

9 October 2016

2 references

inferred from InChIKey

(4R)-4-[(3S,5S,8R,9S,10S,13R,14S,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

inferred from InChI

2 references

inferred from InChIKey

2 references

inferred from InChIKey

(4S)-4-[(3S,5S,8R,9S,10S,13R,14S,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

inferred from InChI

1 reference

1 reference

C₂₄H₄₀O₃

1 reference

BRD-K04497194-001-01-3 (English)

9 October 2016

canonical SMILES

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

1 reference

BRD-K04497194-001-01-3 (English)

9 October 2016

isomeric SMILES

C[C@H](CCC(=O)O)[C@@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@H]4[C@@]3(CC[C@H](C4)O)C)C

1 reference

BRD-K04497194-001-01-3 (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

9 October 2016

Identifiers

InChI

1 reference

BRD-K04497194-001-01-3 (English)

SMEROWZSTRWXGI-JKTPOEMPSA-N

9 October 2016

InChIKey

2 references

BRD-K04497194-001-01-3 (English)

9 October 2016

stated in

ChEBI release 2020-09-01

1 reference

(3alpha,5beta,17alpha)-3-Hydroxycholan-24-oic acid (English)

9 October 2016

2 references

BRD-K04497194-001-01-3 (English)

matched by identifier from

9 October 2016

InChIKey

SMEROWZSTRWXGI-JKTPOEMPSA-N

ChEBI ID

94472

mapping relation type

2 references

(4R)-4-[(3R,5R,8R,9S,10S,13R,14S,17S)-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)