3-HYDROXY-19-NOR-1,3,5(10)-CHOLATRIEN-24-OIC ACID

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C23H32O3
Molecular Weight	356.4984
Optical Activity	( + )
Defined Stereocenters	6 / 6
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 3-HYDROXY-19-NOR-1,3,5(10)-CHOLATRIEN-24-OIC ACID

Structure Search

SMILES

C[C@H](CCC(O)=O)[C@H]1CC[C@H]2[C@@H]3CCC4=C(C=CC(O)=C4)[C@H]3CC[C@]12C

InChI

InChIKey=XMOYAJSUUCZZLU-XLAFRRDFSA-N

InChI=1S/C23H32O3/c1-14(3-10-22(25)26)20-8-9-21-19-6-4-15-13-16(24)5-7-17(15)18(19)11-12-23(20,21)2/h5,7,13-14,18-21,24H,3-4,6,8-12H2,1-2H3,(H,25,26)/t14-,18-,19-,20-,21+,23-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C23H32O3
Molecular Weight	356.4984
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	6 / 6
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Mon Mar 31 21:46:06 GMT 2025` Edited by `admin` on `Mon Mar 31 21:46:06 GMT 2025`
Record UNII	UX5DA33L3D
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

3-HYDROXY-19-NOR-1,3,5(10)-CHOLATRIEN-24-OIC ACID

Common Name

English

19-Norchola-1,3,5(10)-trien-24-oic acid, 3-hydroxy-

Preferred Name

English

(4R)-4-[(1R,3aS,3bS,9bS,11aR)-7-hydroxy-11a-methyl-1H,2H,3H,3aH,3bH,4H,5H,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-1-yl]pentanoic acid

Systematic Name

English

Code System Code Type Description

CAS

100772-18-7

Created by admin on Mon Mar 31 21:46:06 GMT 2025 , Edited by admin on Mon Mar 31 21:46:06 GMT 2025

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EPA CompTox

DTXSID50905733

Created by admin on Mon Mar 31 21:46:06 GMT 2025 , Edited by admin on Mon Mar 31 21:46:06 GMT 2025

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PUBCHEM

130467

Created by admin on Mon Mar 31 21:46:06 GMT 2025 , Edited by admin on Mon Mar 31 21:46:06 GMT 2025

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FDA UNII

UX5DA33L3D

Created by admin on Mon Mar 31 21:46:06 GMT 2025 , Edited by admin on Mon Mar 31 21:46:06 GMT 2025

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