ISOPYROCALCIFEROL ACETATE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C30H46O2
Molecular Weight	438.685
Optical Activity	UNSPECIFIED
Defined Stereocenters	8 / 8
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CC(C)[C@@H](C)\C=C\[C@@H](C)[C@H]1CC[C@H]2C3=CC=C4C[C@H](CC[C@]4(C)[C@@H]3CC[C@]12C)OC(C)=O

InChI

InChIKey=NGEVNHYPVVOXPB-ZLQSPFBJSA-N

InChI=1S/C30H46O2/c1-19(2)20(3)8-9-21(4)26-12-13-27-25-11-10-23-18-24(32-22(5)31)14-16-29(23,6)28(25)15-17-30(26,27)7/h8-11,19-21,24,26-28H,12-18H2,1-7H3/b9-8+/t20-,21+,24-,26+,27-,28+,29-,30+/m0/s1

HIDE SMILES / InChI

Molecular Formula	C30H46O2
Molecular Weight	438.685
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	8 / 8
E/Z Centers	1
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Mon Mar 31 22:53:08 GMT 2025` Edited by `admin` on `Mon Mar 31 22:53:08 GMT 2025`
Record UNII	KLN4D42YFS
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

NSC-134938

Preferred Name

English

ISOPYROCALCIFEROL ACETATE

Common Name

English

9.BETA.-ERGOSTA-5,7,22-TRIEN-3.BETA.-OL, ACETATE

Systematic Name

English

ERGOSTA-5,7,22-TRIEN-3-OL, ACETATE, (3.BETA.,9.BETA.,22E)-

Systematic Name

English

((3S,9R,10R,13R,14R,17R)-17-((E,2R,5R)-5,6-DIMETHYLHEPT-3-EN-2-YL)-10,13-DIMETHYL-2,3,4,9,11,12,14,15,16,17-DECAHYDRO-1H-CYCLOPENTA(A)PHENANTHREN-3-YL) ACETATE

Systematic Name

English

Code System Code Type Description

CAS

2874-25-1

Created by admin on Mon Mar 31 22:53:08 GMT 2025 , Edited by admin on Mon Mar 31 22:53:08 GMT 2025

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PUBCHEM

12723418

Created by admin on Mon Mar 31 22:53:08 GMT 2025 , Edited by admin on Mon Mar 31 22:53:08 GMT 2025

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NSC

134938

Created by admin on Mon Mar 31 22:53:08 GMT 2025 , Edited by admin on Mon Mar 31 22:53:08 GMT 2025

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FDA UNII

KLN4D42YFS

Created by admin on Mon Mar 31 22:53:08 GMT 2025 , Edited by admin on Mon Mar 31 22:53:08 GMT 2025

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