(2R,3R,4S,5S,6R)-2-[(1S,2S,4S,5'S,6R,7S,8R,9S,12S,13R,16S)-5'-(hydroxymethyl)-7,9,13-trimethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-oxane]-16-yl]oxy-6-[[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxane-3,4,5-triol

chemical compound

Wikidata entity: Q105138839

C₃₈H₆₀O₁₃ (P274)

Quantities

P2067mass724.40339198

P233 canonical SMILES String OCC1COC2(OC3CC4C5CC=C6CC(OC7OC(COC8OCC(O)C(O)C8O)C(O)C(O)C7O)CCC6(C)C5CCC4(C)C3C2C)CC1 ???
P703 found in taxon ... Q15239254 (Smilax lebrunii) Smilax lebrunii
P31 instance of ... Q113145171 (type of chemical entity) type of chemical entity
P2017 isomeric SMILES String C[C@H]1[C@H]2[C@H](C[C@H]3[C@@H]4CC=C5C[C@@H](O[C@@H]6O[C@H](CO[C@@H]7OC[C@H](O)[C@H](O)[C@H]7O)[C@@H](O)[C@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@@]32C)O[C@]12CC[C@@H](CO)CO2 ???
P279 subclass of ... Q105138840 (2-[5'-(Hydroxymethyl)-7,9,13-trimethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-oxane]-16-yl]oxy-6-[(3,4,5-trihydroxyoxan-2-yl)oxymethyl]oxane-3,4,5-triol) 2-[5'-(Hydroxymethyl)-7,9,13-trimethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-oxane]-16-yl]oxy-6-[(3,4,5-trihydroxyoxan-2-yl)oxymethyl]oxane-3,4,5-triol
External Ids
P234InChIInChI=1S/C38H60O13/c1-18-28-26(51-38(18)11-6-19(14-39)15-48-38)13-24-22-5-4-20-12-21(7-9-36(20,2)23(22)8-10-37(24,28)3)49-35-33(45)31(43)30(42)27(50-35)17-47-34-32(44)29(41)25(40)16-46-34/h4,18-19,21-35,39-45H,5-17H2,1-3H3/t18-,19-,21-,22+,23-,24-,25-,26-,27+,28-,29-,30+,31-,32+,33+,34-,35+,36-,37-,38+/m0/s1
P235InChIKeyKCMPZYALSHXWBA-NJEHCHMHSA-N
P662PubChem CID162906139

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