COTYLENOL

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C21H34O4
Molecular Weight	350.4923
Optical Activity	UNSPECIFIED
Defined Stereocenters	6 / 6
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

COC[C@@]1(O)CC[C@H]2[C@@H](C)[C@@H](O)[C@H](O)C3=C(CC[C@]3(C)C=C12)C(C)C

InChI

InChIKey=AKKFAKCBIIOLLX-LQQINCHMSA-N

InChI=1S/C21H34O4/c1-12(2)14-6-8-20(4)10-16-15(7-9-21(16,24)11-25-5)13(3)18(22)19(23)17(14)20/h10,12-13,15,18-19,22-24H,6-9,11H2,1-5H3/b16-10+/t13-,15+,18-,19-,20-,21+/m1/s1

HIDE SMILES / InChI

Molecular Formula	C21H34O4
Molecular Weight	350.4923
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 `Tue Apr 01 18:31:36 GMT 2025` Edited by `admin` on `Tue Apr 01 18:31:36 GMT 2025`
Record UNII	IRH90731EO
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

(-)-COTYLENOL

Preferred Name

English

COTYLENOL

Common Name

English

COTYLENOL, (-)-

Common Name

English

DICYCLOPENTA(A,D)CYCLOOCTENE-1,5,6-TRIOL, 1,2,3,3A,4,5,6,8,9,9A-DECAHYDRO-1-(METHOXYMETHYL)-4,9A-DIMETHYL-7-(1-METHYLETHYL)-, (1R-(1.ALPHA.,3A.ALPHA.,4.BETA.,5.BETA.,6.ALPHA.,9A.BETA.))-

Systematic Name

English

(1R,3AS,4R,5R,6R,9AR)-1,2,3,3A,4,5,6,8,9,9A-DECAHYDRO-1-(METHOXYMETHYL)-4,9A-DIMETHYL-7-(1-METHYLETHYL)DICYCLOPENTA(A,D)CYCLOOCTENE-1,5,6-TRIOL

Systematic Name

English

Code System Code Type Description

FDA UNII

IRH90731EO

Created by admin on Tue Apr 01 18:31:36 GMT 2025 , Edited by admin on Tue Apr 01 18:31:36 GMT 2025

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EPA CompTox

DTXSID501337960

Created by admin on Tue Apr 01 18:31:36 GMT 2025 , Edited by admin on Tue Apr 01 18:31:36 GMT 2025

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CAS

41059-90-9

Created by admin on Tue Apr 01 18:31:36 GMT 2025 , Edited by admin on Tue Apr 01 18:31:36 GMT 2025

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PUBCHEM

11068110

Created by admin on Tue Apr 01 18:31:36 GMT 2025 , Edited by admin on Tue Apr 01 18:31:36 GMT 2025

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