Q104667371
group of stereoisomers with the chemical formula C₄₂H₆₂O₁₆
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Q104667371
Summary
Q104667371 is a group of stereoisomers[1].
Key Facts
- Q104667371's instance of is recorded as group of stereoisomers[2].
- Q104667371's canonical SMILES is recorded as O=C(O)C1OC(OC2C(OC(C(=O)O)C(O)C2O)OC3CCC4(C)C5C(=O)C=C6C7CC(C(=O)O)(C)CCC7(C)CCC6(C)C5(C)CCC4C3(C)C)C(O)C(O)C1O[3].
- Q104667371's InChI is recorded as InChI=1S/C42H62O16/c1-37(2)21-8-11-42(7)31(20(43)16-18-19-17-39(4,36(53)54)13-12-38(19,3)14-15-41(18,42)6)40(21,5)10-9-22(37)55-35-30(26(47)25(46)29(57-35)33(51)52)58-34-27(48)23(44)24(45)28(56-34)32(49)50/h16,19,21-31,34-35,44-48H,8-15,17H2,1-7H3,(H,49,50)(H,51,52)(H,53,54)/t19-,21?,22-,23-,24-,25-,26-,27+,28-,29-,30+,31+,34-,35-,38+,39-,40-,41+,42+/m0/s1[4].
- Q104667371's InChIKey is recorded as LPLVUJXQOOQHMX-RQJCKTROSA-N[5].
- Q104667371's chemical formula is recorded as C₄₂H₆₂O₁₆[6].
- Q104667371's subclass of is recorded as oleanane triterpenoid[7].
- Q104667371's PubChem CID is recorded as 16213698[8].
- Q104667371's isomeric SMILES is recorded as CC1(C)C2CC[C@]3(C)C@H[C@@]2(C)CC[C@@H]1O[C@H]1OC@HC@@HC@H[C@H]1O[C@@H]1OC@HC@@HC@H[C@H]1OC@H[C@@]2(C)CC[C@@H]1O[C@H]1OC@HC@@HC@H[C@H]1O[C@@H]1OC@H[">[9].
- Q104667371's mass is recorded as {'unit': 'http://www.wikidata.org/entity/Q483261', 'amount': '+822.4037859040002'}[10].
- Q104667371's UniChem compound ID is recorded as 31992245[11].
- Q104667371's Probes And Drugs ID is recorded as PD087163[12].