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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 of DIMETHYL CEANOTHATE

SMILES

[H][C@@]12CC[C@]3(C)[C@]([H])(CC[C@]4([H])[C@@]5([H])[C@@H](CC[C@@]5(CC[C@@]34C)C(=O)OC)C(C)=C)[C@@]1(C)[C@H]([C@H](O)C2(C)C)C(=O)OC

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 10 / 11
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 08:09:28 GMT 2023
Edited
by admin
on Sat Dec 16 08:09:28 GMT 2023
Record UNII
U3010YVM0D
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
DIMETHYL CEANOTHATE
Common Name English
DIMETHYL EMMOLATE
Common Name English
A(1),28-DINORLUP-20(29)-ENE-2,17-DICARBOXYLIC ACID, 3-HYDROXY-, 2,17-DIMETHYL ESTER, (2.ALPHA.,3.BETA.)-
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 Sat Dec 16 08:09:28 GMT 2023 , Edited by admin on Sat Dec 16 08:09:28 GMT 2023
PRIMARY
FDA UNII
U3010YVM0D
Created by admin on Sat Dec 16 08:09:28 GMT 2023 , Edited by admin on Sat Dec 16 08:09:28 GMT 2023
PRIMARY
PUBCHEM
21672698
Created by admin on Sat Dec 16 08:09:28 GMT 2023 , Edited by admin on Sat Dec 16 08:09:28 GMT 2023
PRIMARY
MERCK INDEX
m3181
Created by admin on Sat Dec 16 08:09:28 GMT 2023 , Edited by admin on Sat Dec 16 08:09:28 GMT 2023
PRIMARY Merck Index