ISOVITAMIN D3

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

CC(C)CCC[C@@H](C)[C@H]1CC[C@@H]2[C@]1(C)CCC\C2=C/C=C3\C[C@@H](O)CC=C3C

InChI

InChIKey=LMBGVVOJTGHJNP-FVUVGDFOSA-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/h11-13,19,21,24-26,28H,6-10,14-18H2,1-5H3/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 `Mon Mar 31 21:08:34 GMT 2025` Edited by `admin` on `Mon Mar 31 21:08:34 GMT 2025`
Record UNII	NJB64RG93A
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

5E-ISOCALCIOL

Preferred Name

English

ISOVITAMIN D3

Common Name

English

TOXISTEROL3 D2

Common Name

English

ISOVITAMIN-D3

Common Name

English

3-CYCLOHEXEN-1-OL, 5-((2E)-2-((1R,3AS,7AR)-1-((1R)-1,5-DIMETHYLHEXYL)OCTAHYDRO-7A-METHYL-4H-INDEN-4-YLIDENE)ETHYLIDENE)-4-METHYL-, (1S,5E)-

Systematic Name

English

(1S,5E)-5-((2E)-2-((1R,3AS,7AR)-1-((1R)-1,5-DIMETHYLHEXYL)OCTAHYDRO-7A-METHYL-4H-INDEN-4-YLIDENE)ETHYLIDENE)-4-METHYL-3-CYCLOHEXEN-1-OL

Systematic Name

English

9,10-SECOCHOLESTA-1(10),5,7-TRIEN-3-OL, (3.BETA.,5E,7E)-

Common Name

English

Code System Code Type Description

CAS

42607-12-5

Created by admin on Mon Mar 31 21:08:34 GMT 2025 , Edited by admin on Mon Mar 31 21:08:34 GMT 2025

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PUBCHEM

5314031

Created by admin on Mon Mar 31 21:08:34 GMT 2025 , Edited by admin on Mon Mar 31 21:08:34 GMT 2025

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MANUFACTURER PRODUCT INFORMATION

ISOVITAMIN D3

Created by admin on Mon Mar 31 21:08:34 GMT 2025 , Edited by admin on Mon Mar 31 21:08:34 GMT 2025

PRIMARY

FDA UNII

NJB64RG93A

Created by admin on Mon Mar 31 21:08:34 GMT 2025 , Edited by admin on Mon Mar 31 21:08:34 GMT 2025

PRIMARY