(Q27160720)

SCHEMBL12029049 (English)

9 October 2016

chemical formula

C₂₁H₃₄O₂

1 reference

SCHEMBL12029049 (English)

9 October 2016

canonical SMILES

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

1 reference

SCHEMBL12029049 (English)

9 October 2016

isomeric SMILES

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

1 reference

SCHEMBL12029049 (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-/m1/s1

9 October 2016

Identifiers

InChI

1 reference

SCHEMBL12029049 (English)

AURFZBICLPNKBZ-KCZNCWLVSA-N

9 October 2016

InChIKey

2 references

SCHEMBL12029049 (English)

9 October 2016

stated in

ChEBI release 2020-09-01

1 reference

(3alpha,5beta,8xi,9xi,14xi)-3-Hydroxypregnan-20-one (English)

9 October 2016

1 reference

SCHEMBL12029049 (English)

9 October 2016

ChEBI ID

88767

mapping relation type

1 reference