Q105289796

group of stereoisomers with the chemical formula C₄₅H₇₂O₁₆

Wikidata entity: Q105289796

C₄₅H₇₂O₁₆ (P274)

Quantities

P2067mass868.482036224

P233 canonical SMILES String OCC1OC(OC2CC3=CCC4C(CCC5(C)C4CC6OC7(OCC(C)CC7)C(C)C65)C3(C)CC2)C(OC8OC(C)C(O)C(O)C8O)C(O)C1OC9OC(C)C(O)C(O)C9O ???
P703 found in taxon ... Q133205 (Trigonella foenum-graecum) Trigonella foenum-graecum
P31 instance of ... Q59199015 (group of stereoisomers) group of stereoisomers
P2017 isomeric SMILES String CC1C2C(CC3C4CC=C5C[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O[C@@H]7O[C@@H](C)[C@H](O)[C@@H](O)[C@H]7O)[C@H](O)[C@H]6O[C@@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O)CC[C@]5(C)C4CC[C@@]32C)OC12CC[C@H](C)CO2 ???
P279 subclass of ... Q77806815 (spirostans) spirostans
External Ids
P234InChIInChI=1S/C45H72O16/c1-19-9-14-45(54-18-19)20(2)30-28(61-45)16-27-25-8-7-23-15-24(10-12-43(23,5)26(25)11-13-44(27,30)6)57-42-39(60-41-36(52)34(50)32(48)22(4)56-41)37(53)38(29(17-46)58-42)59-40-35(51)33(49)31(47)21(3)55-40/h7,19-22,24-42,46-53H,8-18H2,1-6H3/t19-,20?,21-,22-,24-,25?,26?,27?,28?,29+,30?,31-,32-,33+,34+,35+,36+,37-,38+,39+,40-,41-,42+,43-,44-,45?/m0/s1
P235InChIKeyVNONINPVFQTJOC-RPDXFLODSA-N
P662PubChem CID6324944
P11089UniChem compound ID42340211

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