Primary record
-4a(2H)-carboxylate
- CAS
- 218600-50-1
- PubChem CID
- 10576780
- SMILES
- C[C@]12CCC(=O)C([C@@H]1CC[C@@]3(C2=CC(=O)[C@H]4[C@]3(CC[C@@]5([C@H]4CC(CC5)(C)C)C(=O)OC)C)C)(C)C
- Molecular Formula
- C31H46O4
- Molecular Weight
- 482.705
- Exact Mass
- 482.3396
- InChI
- InChI=1S/C31H46O4/c1-26(2)13-15-31(25(34)35-8)16-14-30(7)24(19(31)18-26)20(32)17-22-28(5)11-10-23(33)27(3,4)21(28)9-12-29(22,30)6/h17,19,21,24H,9-16,18H2,1-8H3/t19-,21-,24-,28-,29+,30+,31-/m0/s1
- InChIKey
- ZSKIWSWEZHHVGY-ZTPLMWSVSA-N
- LogP
- 6.7092
- TPSA
- 60.44
Names and synonyms
- -4a(2H)-carboxylate
- CHEMBL3787129
- SCHEMBL12958517
- Methyl 3,12-dioxoolean-9(11)-en-28-oate
- C31H46O4
- 1078AB
- ZINC35570701
- CID10576780
- CID 10576780
- ST2407162
- 218600-50-1
- J2.894.379B
- A51132
- 3,12-Dioxoolean-9(11)-en-28-oic acid methyl ester
- 3,12-Dioxo-olean-9(11)-en-28-oic acid methyl ester
- 3,12-Dioxooleana-9(11)-ene-28-oic acid methyl ester
- Olean-9(11)-en-28-oic acid, 3,12-dioxo-, methyl ester (9CI)
- methyl (4aS,6aR,6bS,8aR,12aS,14aR,14bS)-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
- methyl (4aS,6aR,6bS,8aR,12aS,14aR,14bS)-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-octadecahydropicene