Estr-9(11)-en-3-one, 5,10-epoxy-17-hydroxy-17-(1-propyn-1-yl)-, cyclic 1,2-ethanediyl acetal, (5?,10?,17?)-

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C23H30O4
Molecular Weight	370.4819
Optical Activity	UNSPECIFIED
Defined Stereocenters	6 / 6
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of Estr-9(11)-en-3-one, 5,10-epoxy-17-hydroxy-17-(1-propyn-1-yl)-, cyclic 1,2-ethanediyl acetal, (5?,10?,17?)-

Structure Search

SMILES

CC#C[C@]1(O)CC[C@H]2[C@@H]3CC[C@@]45CC6(CC[C@@]4(O5)C3=CC[C@]12C)OCCO6

InChI

InChIKey=NRUIWWWJNIPUBD-XZJZWBLTSA-N

InChI=1S/C23H30O4/c1-3-7-20(24)9-6-17-16-4-10-21-15-22(25-13-14-26-22)11-12-23(21,27-21)18(16)5-8-19(17,20)2/h5,16-17,24H,4,6,8-15H2,1-2H3/t16-,17-,19-,20-,21+,23+/m0/s1

HIDE SMILES / InChI

Molecular Formula	C23H30O4
Molecular Weight	370.4819
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	6 / 6
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Wed Apr 02 17:41:03 GMT 2025` Edited by `admin` on `Wed Apr 02 17:41:03 GMT 2025`
Record UNII	JM7HCL46CC
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

Estr-9(11)-en-3-one, 5,10-epoxy-17-hydroxy-17-(1-propyn-1-yl)-, cyclic 1,2-ethanediyl acetal, (5?,10?,17?)-

Systematic Name

English

5?,10?-Epoxy-3,3-(ethylenedioxy)-17?-hydroxy-17?-(1-propynyl)-9(11)-estrene

Preferred Name

English

(1'R,5'S,6'S,9'S,10'S,13'R)-5'-Methyl-6'-prop-1-ynylspiro[1,3-dioxolane-2,15'-18-oxapentacyclo[11.4.1.01,13.02,10.05,9]octadec-2-ene]-6'-ol

Systematic Name

English

Code System Code Type Description

CAS

84371-57-3

Created by admin on Wed Apr 02 17:41:03 GMT 2025 , Edited by admin on Wed Apr 02 17:41:03 GMT 2025

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EPA CompTox

DTXSID30441604

Created by admin on Wed Apr 02 17:41:03 GMT 2025 , Edited by admin on Wed Apr 02 17:41:03 GMT 2025

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PUBCHEM

10547150

Created by admin on Wed Apr 02 17:41:03 GMT 2025 , Edited by admin on Wed Apr 02 17:41:03 GMT 2025

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FDA UNII

JM7HCL46CC

Created by admin on Wed Apr 02 17:41:03 GMT 2025 , Edited by admin on Wed Apr 02 17:41:03 GMT 2025

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