(Q27272266)

UNII-9A664165GR (English)

(3S,9R,10S,13R,14R,17R)-17-[(2R)-6-hydroxy-6-methylheptan-2-yl]-10,13-dimethyl-2,3,4,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-ol

14 October 2016

stereoisomer of

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₂₇H₄₄O₂

1 reference

UNII-9A664165GR (English)

14 October 2016

canonical SMILES

CC(CCCC(C)(C)O)C1CCC2C1(CCC3C2=CC=C4C3(CCC(C4)O)C)C

1 reference

UNII-9A664165GR (English)

14 October 2016

isomeric SMILES

C[C@H](CCCC(C)(C)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3C2=CC=C4[C@@]3(CC[C@@H](C4)O)C)C

1 reference

UNII-9A664165GR (English)

InChI=1S/C27H44O2/c1-18(7-6-14-25(2,3)29)22-10-11-23-21-9-8-19-17-20(28)12-15-26(19,4)24(21)13-16-27(22,23)5/h8-9,18,20,22-24,28-29H,6-7,10-17H2,1-5H3/t18-,20+,22-,23+,24+,26+,27-/m1/s1

14 October 2016

Identifiers

InChI

1 reference

UNII-9A664165GR (English)

14 October 2016

2 references

UNII-9A664165GR (English)

14 October 2016

ChEBI release 2020-09-01

CAS Registry Number

22145-68-2

2 references

Global Substance Registration System

UNII

9A664165GR

25-hydroxy-7-dehydrocholesterol (English)

14 October 2016

https://commonchemistry.cas.org/detail?cas_rn=22145-68-2

10 April 2021

1 reference

(3beta)-Cholesta-5,7-diene-3,25-diol (English)

14 October 2016

2 references

UNII-9A664165GR (English)

14 October 2016

ChEBI ID

137057

mapping relation type

exact match

2 references

ChEBI release 2019-10-02

International Chemical Identifier

InChI

InChI=1S/C27H44O2/c1-18(7-6-14-25(2,3)29)22-10-11-23-21-9-8-19-17-20(28)12-15-26(19,4)24(21)13-16-27(22,23)5/h8-9,18,20,22-24,28-29H,6-7,10-17H2,1-5H3/t18-,20+,22-,23+,24+,26+,27-/m1/s1

1 reference

1 reference

UNII

9A664165GR

2 references

Global Substance Registration System

UNII

9A664165GR

25-hydroxy-7-dehydrocholesterol (English)

14 October 2016

SwissLipids ID

SLM:000597841

1 reference