DIMETHYL CEANOTHATE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C32H50O5
Molecular Weight	514.7364
Optical Activity	UNSPECIFIED
Defined Stereocenters	11 / 11
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

COC(=O)[C@H]1[C@H](O)C(C)(C)[C@@H]2CC[C@]3(C)[C@H](CC[C@@H]4[C@H]5[C@@H](CC[C@@]5(CC[C@@]34C)C(=O)OC)C(C)=C)[C@@]12C

InChI

InChIKey=OTJNVRIBONQVIF-VSBKJJMFSA-N

InChI=1S/C32H50O5/c1-18(2)19-12-15-32(27(35)37-9)17-16-29(5)20(23(19)32)10-11-22-30(29,6)14-13-21-28(3,4)25(33)24(26(34)36-8)31(21,22)7/h19-25,33H,1,10-17H2,2-9H3/t19-,20+,21-,22-,23+,24+,25-,29+,30+,31-,32-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C32H50O5
Molecular Weight	514.7364
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	11 / 11
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Mon Mar 31 21:54:51 GMT 2025` Edited by `admin` on `Mon Mar 31 21:54:51 GMT 2025`
Record UNII	U3010YVM0D
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

DIMETHYL CEANOTHATE

Common Name

English

A(1),28-DINORLUP-20(29)-ENE-2,17-DICARBOXYLIC ACID, 3-HYDROXY-, 2,17-DIMETHYL ESTER, (2.ALPHA.,3.BETA.)-

Preferred Name

English

DIMETHYL EMMOLATE

Common Name

English

EMMOLIC ACID, DIMETHYL ESTER

Common Name

English

CEANOTHIC ACID DIMETHYL ESTER [MI]

Common Name

English

CEANOTHIC ACID, DIMETHYL ESTER

Common Name

English

Code System Code Type Description

CAS

31300-24-0

Created by admin on Mon Mar 31 21:54:51 GMT 2025 , Edited by admin on Mon Mar 31 21:54:51 GMT 2025

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FDA UNII

U3010YVM0D

Created by admin on Mon Mar 31 21:54:51 GMT 2025 , Edited by admin on Mon Mar 31 21:54:51 GMT 2025

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PUBCHEM

21672698

Created by admin on Mon Mar 31 21:54:51 GMT 2025 , Edited by admin on Mon Mar 31 21:54:51 GMT 2025

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MERCK INDEX

m3181

Created by admin on Mon Mar 31 21:54:51 GMT 2025 , Edited by admin on Mon Mar 31 21:54:51 GMT 2025

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Merck Index