(22E)-(24R)-ETHYL-22,23-DIDEHYDROCALCIOL

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C29H46O
Molecular Weight	410.6749
Optical Activity	UNSPECIFIED
Defined Stereocenters	6 / 6
E/Z Centers	3
Charge	0

SHOW SMILES / InChI

Structure of (22E)-(24R)-ETHYL-22,23-DIDEHYDROCALCIOL

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)\C=C\[C@H](CC)C(C)C

InChI

InChIKey=SGDMQAPHDOAHCO-HAGFTUHFSA-N

InChI=1S/C29H46O/c1-7-23(20(2)3)12-10-22(5)27-16-17-28-24(9-8-18-29(27,28)6)13-14-25-19-26(30)15-11-21(25)4/h10,12-14,20,22-23,26-28,30H,4,7-9,11,15-19H2,1-3,5-6H3/b12-10+,24-13+,25-14-/t22-,23+,26+,27-,28+,29-/m1/s1

HIDE SMILES / InChI

Approval Year

Name

Type

Language

(22E)-(24R)-ETHYL-22,23-DIDEHYDROCALCIOL

Common Name

English

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

Systematic Name

English

VITAMIN D6

Common Name

English

ETHYL-22,23-DIDEHYDROCALCIOL, (22E)-(24R)-

Common Name

English

CYCLOHEXANOL, 3-((2E)-2-((1R,3AS,7AR)-1-((1R,2E,4R)-4-ETHYL-1,5-DIMETHYL-2-HEXEN-1-YL)OCTAHYDRO-7A-METHYL-4H-INDEN-4-YLIDENE)ETHYLIDENE)-4-METHYLENE-, (1S,3Z)-

Common Name

English

Code System Code Type Description

PUBCHEM

9547702

Created by admin on Sat Dec 16 18:59:51 GMT 2023 , Edited by admin on Sat Dec 16 18:59:51 GMT 2023

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FDA UNII

BRW5382CA2

Created by admin on Sat Dec 16 18:59:51 GMT 2023 , Edited by admin on Sat Dec 16 18:59:51 GMT 2023

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CAS

874187-07-2

Created by admin on Sat Dec 16 18:59:51 GMT 2023 , Edited by admin on Sat Dec 16 18:59:51 GMT 2023

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SMS_ID

100000127878

Created by admin on Sat Dec 16 18:59:51 GMT 2023 , Edited by admin on Sat Dec 16 18:59:51 GMT 2023

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SUBSTANCE RECORD


					BRW5382CA2

(22E)-(24R)-ETHYL-22,23-DIDEHYDROCALCIOL