[(1S,2S,4S,4'S,5'S,6R,7S,8R,9S,12S,13R,15R,16R,18R,19R)-4',18,19-trihydroxy-5',7,9,13-tetramethyl-15-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-16-yl] acetate

chemical compound

Wikidata entity: Q105202422

C₃₅H₅₆O₁₃ (P274)

Quantities

P2067mass684.372091852

P233 canonical SMILES String O=C(OC1CC2(O)C(O)CC3C(CCC4(C)C3CC5OC6(OCC(C)C(O)C6)C(C)C54)C2(C)CC1OC7OC(CO)C(O)C(O)C7O)C ???
P703 found in taxon ... Q736155 (Allium giganteum) Allium giganteum
P31 instance of ... Q113145171 (type of chemical entity) type of chemical entity
P2017 isomeric SMILES String CC(=O)O[C@@H]1C[C@]2(O)[C@H](O)C[C@H]3[C@@H]4C[C@@H]5O[C@]6(C[C@H](O)[C@@H](C)CO6)[C@@H](C)[C@@H]5[C@@]4(C)CC[C@@H]3[C@@]2(C)C[C@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O ???
P279 subclass of ... Q105202423 (4,18',19'-trihydroxy-5,7',9',13'-tetramethyl-15'-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-5'-oxaspiro[oxane-2,6'-pentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosan]-16'-yl acetate) 4,18',19'-trihydroxy-5,7',9',13'-tetramethyl-15'-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-5'-oxaspiro[oxane-2,6'-pentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosan]-16'-yl acetate
External Ids
P234InChIInChI=1S/C35H56O13/c1-15-14-44-35(10-21(15)38)16(2)27-22(48-35)9-20-18-8-26(39)34(43)12-24(45-17(3)37)23(11-33(34,5)19(18)6-7-32(20,27)4)46-31-30(42)29(41)28(40)25(13-36)47-31/h15-16,18-31,36,38-43H,6-14H2,1-5H3/t15-,16-,18+,19-,20-,21-,22-,23+,24+,25+,26+,27-,28+,29-,30+,31+,32-,33+,34-,35+/m0/s1
P235InChIKeyOWZCIOMAPJTTDL-SYADQQNASA-N
P662PubChem CID163029256

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