Dinordrin I (free alcohol)

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C21H28O2
Molecular Weight	312.4458
Optical Activity	UNSPECIFIED
Defined Stereocenters	8 / 8
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

C[C@]12CC[C@@H]3[C@H]4C[C@@](O)(C[C@@H]4CC[C@H]3[C@@H]1CC[C@@]2(O)C#C)C#C

InChI

InChIKey=BSPAFVDFUSGBNP-FJCZRMHDSA-N

InChI=1S/C21H28O2/c1-4-20(22)12-14-6-7-16-15(17(14)13-20)8-10-19(3)18(16)9-11-21(19,23)5-2/h1-2,14-18,22-23H,6-13H2,3H3/t14-,15-,16+,17-,18-,19-,20-,21-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C21H28O2
Molecular Weight	312.4458
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	8 / 8
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Mon Mar 31 22:16:01 GMT 2025` Edited by `admin` on `Mon Mar 31 22:16:01 GMT 2025`
Record UNII	MXZ68D4F5X
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

Dinordrin I (free alcohol)

Common Name

English

A,19-Dinorpregn-20-yne-2,17-diol, 2-ethynyl-, (2?,5?,17?)-

Preferred Name

English

(1R,3aS,3bR,5aS,7S,8aS,8bR,10aS)-1,7-Diethynylhexadecahydro-10a-methyldicyclopenta[a,f]naphthalene-1,7-diol

Systematic Name

English

(6R,8aS)-2,6-diethynyl-5a-methyl-3,3a,3b,4,5,7,8,8a,8b,9,10,10a-dodecahydro-1H-indeno[5,4-e]indene-2,6-diol

Systematic Name

English

Dicyclopenta[a,f]naphthalene-1,7-diol, 1,7-diethynylhexadecahydro-10a-methyl-, (1R,3aS,3bR,5aS,7S,8aS,8bR,10aS)-

Systematic Name

English

Code System Code Type Description

EPA CompTox

DTXSID50983298

Created by admin on Mon Mar 31 22:16:01 GMT 2025 , Edited by admin on Mon Mar 31 22:16:01 GMT 2025

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CAS

64675-09-8

Created by admin on Mon Mar 31 22:16:01 GMT 2025 , Edited by admin on Mon Mar 31 22:16:01 GMT 2025

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PUBCHEM

3049348

Created by admin on Mon Mar 31 22:16:01 GMT 2025 , Edited by admin on Mon Mar 31 22:16:01 GMT 2025

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FDA UNII

MXZ68D4F5X

Created by admin on Mon Mar 31 22:16:01 GMT 2025 , Edited by admin on Mon Mar 31 22:16:01 GMT 2025

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