CIPROSTENE CALCIUM

Details

Stereochemistry	ABSOLUTE
Molecular Formula	2C22H35O4.Ca
Molecular Weight	767.1
Optical Activity	UNSPECIFIED
Defined Stereocenters	10 / 10
E/Z Centers	4
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[Ca++].[H][C@]12C\C(C[C@@]1(C)C[C@@H](O)[C@@H]2\C=C\[C@@H](O)CCCCC)=C\CCCC([O-])=O.[H][C@]34C\C(C[C@@]3(C)C[C@@H](O)[C@@H]4\C=C\[C@@H](O)CCCCC)=C\CCCC([O-])=O

InChI

InChIKey=NJTMVDAFPIEZAJ-BMKVUGPNSA-L

InChI=1S/2C22H36O4.Ca/c2*1-3-4-5-9-17(23)11-12-18-19-13-16(8-6-7-10-21(25)26)14-22(19,2)15-20(18)24;/h2*8,11-12,17-20,23-24H,3-7,9-10,13-15H2,1-2H3,(H,25,26);/q;;+2/p-2/b2*12-11+,16-8-;/t2*17-,18+,19+,20+,22-;/m00./s1

HIDE SMILES / InChI

Molecular Formula	Ca
Molecular Weight	40.078
Charge	2
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Molecular Formula	C22H35O4
Molecular Weight	363.5109
Charge	-1
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 `Fri Dec 15 15:16:37 UTC 2023` Edited by `admin` on `Fri Dec 15 15:16:37 UTC 2023`
Record UNII	A85Y5Y98EJ
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

CIPROSTENE CALCIUM

Official Name

English

U-61,431F

Code

English

CALCIUM (Z)-(3AS,5R,6R,6AR)-HEXAHYDRO-5-HYDROXY-6-((E)-(3S)-3-HYDROXY-1-OCTENYL)-3A-METHYL-.DELTA.(SUP 2)(1H),.DELTA.-PENTALENEVALERATE (1:2)

Common Name

English

CIPROSTENE CALCIUM [MART.]

Common Name

English

CIPROSTENE CALCIUM [USAN]

Common Name

English

U-61431F

Code

English

Code System Code Type Description

NCI_THESAURUS

C171867