22Z-PARICALCITOL

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C27H44O3
Molecular Weight	416.6365
Optical Activity	UNSPECIFIED
Defined Stereocenters	7 / 7
E/Z Centers	2
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

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

InChI

InChIKey=BPKAHTKRCLCHEA-DCUJIKHJSA-N

InChI=1S/C27H44O3/c1-18(8-9-19(2)26(3,4)30)24-12-13-25-21(7-6-14-27(24,25)5)11-10-20-15-22(28)17-23(29)16-20/h8-11,18-19,22-25,28-30H,6-7,12-17H2,1-5H3/b9-8-,21-11+/t18-,19+,22-,23-,24-,25+,27-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C27H44O3
Molecular Weight	416.6365
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	7 / 7
E/Z Centers	2
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Wed Apr 02 11:19:31 GMT 2025` Edited by `admin` on `Wed Apr 02 11:19:31 GMT 2025`
Record UNII	SR4SB84X76
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

22Z-PARICALCITOL

Common Name

English

1,3-CYCLOHEXANEDIOL, 5-((2E)-2-((1R,3AS,7AR)-OCTAHYDRO-1-((1R,2Z,4S)-5-HYDROXY-1,4,5-TRIMETHYL-2-HEXEN-1-YL)-7A-METHYL-4H-INDEN-4-YLIDENE)ETHYLIDENE)-, (1R,3R)-

Preferred Name

English

Code System Code Type Description

PUBCHEM

124389594

Created by admin on Wed Apr 02 11:19:31 GMT 2025 , Edited by admin on Wed Apr 02 11:19:31 GMT 2025

PRIMARY

FDA UNII

SR4SB84X76

Created by admin on Wed Apr 02 11:19:31 GMT 2025 , Edited by admin on Wed Apr 02 11:19:31 GMT 2025

PRIMARY

CAS

1884139-61-0

Created by admin on Wed Apr 02 11:19:31 GMT 2025 , Edited by admin on Wed Apr 02 11:19:31 GMT 2025

PRIMARY

Related Record Type Details


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PARICALCITOL

PARENT -> IMPURITY

Interaction Type:

CHROMATOGRAPHIC PURITY (HPLC/UV)

Qualification:

USP

Amount: