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Structure

3,12-Dioxo-olean-9(11)-en-28-oic acid methyl ester

CAS
218600-50-1
Catalog Number
ACM218600501
Category
Other Products
Molecular Weight
482.694540 [g/mol]
Molecular Formula
C31H46O4

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Specification

Synonyms
218600-50-1, AKOS015999232, AK-79962, KB-62840, Methyl 3,12-dioxoolean-9(11)-en-28-oate, Olean-9(11)-en-28-oic acid, 3,12-dioxo-, methyl ester, (4aS,6aR,6bS,12aS,14aR,14bR)-methyl-2,2,6a,6b,9,9,12a-heptamethyl-10,14-dioxo-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-icosahydropicene-4a-carboxylate, 2,2,6a,6b,9,9,12a-Heptamethyl-10,14-dioxo-1,3,4,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-octadecahydro-2H-picene-4a-carboxylic acid methyl ester
IUPAC Name
methyl (4aS,6aR,6bS,12aS,14aR,14bR)-2,2,6a,6b,9,9,12a-heptamethyl-10,14-dioxo-1,3,4,5,6,7,8,8a,11,12,14a,14b-dodecahydropicene-4a-carboxylate
Canonical SMILES
CC1(CCC2(CCC3(C(C2C1)C(=O)C=C4C3(CCC5C4(CCC(=O)C5(C)C)C)C)C)C(=O)OC)C
InChI Key
ZSKIWSWEZHHVGY-MDLXRGQPSA-N
Boiling Point
557.072ºC at 760 mmHg
Flash Point
232.707ºC
Density
1.1
EC Number
606-849-9
Exact Mass
482.34000
H-Bond Acceptor
4
H-Bond Donor
0
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