Pyrocholecalciferol

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C27H44O
Molecular Weight	384.6377
Optical Activity	UNSPECIFIED
Defined Stereocenters	7 / 7
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

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

InChI

InChIKey=UCTLRSWJYQTBFZ-KEPKOUJCSA-N

InChI=1S/C27H44O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h9-10,18-19,21,23-25,28H,6-8,11-17H2,1-5H3/t19-,21+,23-,24+,25+,26-,27-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C27H44O
Molecular Weight	384.6377
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	7 / 7
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Wed Apr 02 15:09:54 GMT 2025` Edited by `admin` on `Wed Apr 02 15:09:54 GMT 2025`
Record UNII	684W34U5SC
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

Pyrocholecalciferol

Common Name

English

10?-Cholesta-5,7-dien-3?-ol

Preferred Name

English

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

Systematic Name

English

Cholecalciferol Impurity C [EP IMPURITY]

Common Name

English

Pyrovitamin D<sup>3</sup>

Common Name

English

Cholesta-5,7-dien-3-ol, (3?,10?)-

Common Name

English

Code System Code Type Description

CAS

10346-43-7

Created by admin on Wed Apr 02 15:09:54 GMT 2025 , Edited by admin on Wed Apr 02 15:09:54 GMT 2025

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FDA UNII

684W34U5SC

Created by admin on Wed Apr 02 15:09:54 GMT 2025 , Edited by admin on Wed Apr 02 15:09:54 GMT 2025

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PUBCHEM

12314638

Created by admin on Wed Apr 02 15:09:54 GMT 2025 , Edited by admin on Wed Apr 02 15:09:54 GMT 2025

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Related Record Type Details


					1C6V77QF41

Cholecalciferol

PARENT -> IMPURITY

Comments:

EPIMER OF 7-DEHYDROCHOLESTEROL [EP IMPURITYB]

Amount: