Epicholecalciferol

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C27H44O
Molecular Weight	384.6377
Optical Activity	UNSPECIFIED
Defined Stereocenters	5 / 5
E/Z Centers	2
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[H][C@@]1(CC[C@@]2([H])\C(CCC[C@]12C)=C\C=C3\C[C@H](O)CCC3=C)[C@H](C)CCCC(C)C

InChI

InChIKey=QYSXJUFSXHHAJI-YHJXBONMSA-N

InChI=1S/C27H44O/c1-19(2)8-6-9-21(4)25-15-16-26-22(10-7-17-27(25,26)5)12-13-23-18-24(28)14-11-20(23)3/h12-13,19,21,24-26,28H,3,6-11,14-18H2,1-2,4-5H3/b22-12+,23-13-/t21-,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	5 / 5
E/Z Centers	2
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 19:31:27 UTC 2023` Edited by `admin` on `Sat Dec 16 19:31:27 UTC 2023`
Record UNII	2PNV64AM2H
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

Epicholecalciferol

Common Name

English

3-epi-Vitamin D3

Common Name

English

(1R,3Z)-3-[(2E)-2-[(1R,3aS,7aR)-1-[(1R)-1,5-Dimethylhexyl]octahydro-7a-methyl-4H-inden-4-ylidene]ethylidene]-4-methylenecyclohexanol

Systematic Name

English

Cyclohexanol, 3-[(2E)-2-[(1R,3aS,7aR)-1-[(1R)-1,5-dimethylhexyl]octahydro-7a-methyl-4H-inden-4-ylidene]ethylidene]-4-methylene-, (1R,3Z)-

Systematic Name

English

9,10-Secocholesta-5,7,10(19)-trien-3-ol, (3α,5Z,7E)-

Systematic Name

English

Code System Code Type Description

FDA UNII

2PNV64AM2H

Created by admin on Sat Dec 16 19:31:27 UTC 2023 , Edited by admin on Sat Dec 16 19:31:27 UTC 2023

PRIMARY

PUBCHEM

5283710

Created by admin on Sat Dec 16 19:31:27 UTC 2023 , Edited by admin on Sat Dec 16 19:31:27 UTC 2023

PRIMARY

CAS

57651-82-8

Created by admin on Sat Dec 16 19:31:27 UTC 2023 , Edited by admin on Sat Dec 16 19:31:27 UTC 2023

PRIMARY

Related Record Type Details


					1C6V77QF41

Cholecalciferol

DIASTEREOISOMER -> EPIMER

Comments:

HYDROXYL GROUP IN R CONFIGURATION COMPARED TO CHOLECALCIFEROL

Amount: