Esculentoside D

chemical compound

Wikidata entity: Q72471102

C₃₇H₅₈O₁₂ (P274)

Quantities

P2067mass694.392827296

P233 canonical SMILES String O=C(O)C12CCC(C(=O)OC)(C)CC2C3=CCC4C5(C)CC(O)C(OC6OC(CO)C(O)C(O)C6O)C(C)(CO)C5CCC4(C)C3(C)CC1 ???
P703 found in taxon ... Q1569312 (Phytolacca acinosa) Phytolacca acinosa
P31 instance of ... Q113145171 (type of chemical entity) type of chemical entity
P2017 isomeric SMILES String COC(=O)[C@@]1(C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@H](O)[C@H](O[C@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)[C@@](C)(CO)[C@@H]5CC[C@]43C)[C@@H]2C1 ???
P3364 stereoisomer of ... Q105192018 (???) ???
P279 subclass of ... Q108544891 (oleanane triterpenoid) oleanane triterpenoid
External Ids
P231CAS Registry Number89808-50-4
P234InChIInChI=1S/C37H58O12/c1-32(31(46)47-6)11-13-37(30(44)45)14-12-35(4)19(20(37)15-32)7-8-24-33(2)16-21(40)28(34(3,18-39)23(33)9-10-36(24,35)5)49-29-27(43)26(42)25(41)22(17-38)48-29/h7,20-29,38-43H,8-18H2,1-6H3,(H,44,45)/t20-,21-,22+,23+,24+,25+,26-,27+,28-,29+,32-,33-,34-,35+,36+,37-/m0/s1
P235InChIKeyOHDFISPWADYJIW-OUYKRPPKSA-N
P662PubChem CID92131314
P11089UniChem compound ID101929614

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