(Q27121935)

SCHEMBL416559 (English)

6 October 2016

chemical formula

C₂₁H₃₄O₂

1 reference

SCHEMBL416559 (English)

6 October 2016

canonical SMILES

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

1 reference

SCHEMBL416559 (English)

6 October 2016

isomeric SMILES

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

1 reference

SCHEMBL416559 (English)

InChI=1S/C21H34O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h14-19,23H,4-12H2,1-3H3/t14-,15?,16-,17+,18-,19-,20-,21+/m0/s1

6 October 2016

Identifiers

InChI

1 reference

SCHEMBL416559 (English)

AURFZBICLPNKBZ-JJYAXCJVSA-N

6 October 2016

InChIKey

2 references

SCHEMBL416559 (English)

6 October 2016

stated in

ChEBI release 2020-09-01

1 reference

(5alpha)-3-Hydroxypregnan-20-one (English)

6 October 2016

2 references

SCHEMBL416559 (English)

matched by identifier from

6 October 2016

InChIKey

AURFZBICLPNKBZ-JJYAXCJVSA-N

Reaxys registry number

4785658

1 reference

3-hydroxy-5alpha-pregnan-20-one (English)

6 October 2016

ChEBI ID

50170

mapping relation type

2 references

3-hydroxy-5alpha-pregnan-20-one (English)