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CHEBI:176042 - (2xi,3xi)-2,3-Dihydroxy-12,18-ursadien-28-oic acid diacetate
| Formula | C34H50O6 |
| Net Charge | 0 |
| Average Mass | 554.768 |
| Monoisotopic Mass | 554.36074 |
| SMILES | CC(=O)OC1CC2(C)C(CCC3(C)C2CC=C2C4=C(C)C(C)CCC4(C(=O)O)CCC23C)C(C)(C)C1OC(C)=O |
| InChI | InChI=1S/C34H50O6/c1-19-12-15-34(29(37)38)17-16-32(8)23(27(34)20(19)2)10-11-26-31(7)18-24(39-21(3)35)28(40-22(4)36)30(5,6)25(31)13-14-33(26,32)9/h10,19,24-26,28H,11-18H2,1-9H3,(H,37,38) |
| InChIKey | NKUPBVVFDCQLGE-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| (2xi,3xi)-2,3-Dihydroxy-12,18-ursadien-28-oic acid diacetate (CHEBI:176042) is a triterpenoid (CHEBI:36615) |
| IUPAC Name |
|---|
| 10,11-diacetyloxy-1,2,6a,6b,9,9,12a-heptamethyl-3,4,5,6,6a,7,8,8a,10,11,12,13-dodecahydro-2H-picene-4a-carboxylic acid |
| Manual Xrefs | Databases |
|---|---|
| 35014232 | ChemSpider |
| HMDB0036745 | HMDB |