NCS
China New Chemical Substance Search
Grayanotoxane-3,5,6,10,14,16-hexol,(3b,6b,14R)-
deacylasebotoxini, andromedol, GRAYANOTOXIN 3.1/2 ETHYL ACETATE ADDUCT, deacetylandromedotoxin, MFCD00285883
CAS Number: 4678-45-9
IUPAC name: (1S,3R,4R,6S,8S,9R,10R,13R,14R,16R)-5,5,9,14-tetramethyltetracyclo[11.2.1.01,10.04,8]hexadecane-3,4,6,9,14,16-hexol
Molecular formula: C20H34O6
Molecular weight: 370.48000
InChI: InChI=1S/C20H34O6/c1-16(2)13(21)7-12-18(4,25)11-6-5-10-15(23)19(11,9-17(10,3)24)8-14(22)20(12,16)26/h10-15,21-26H,5-9H2,1-4H3/t10-,11+,12+,13+,14-,15-,17-,18-,19+,20+/m1/s1
InChIKey: BWMFRQKICHXLSH-FIRPSQKQSA-N
SMILES: -
EINECS: C[C@]1(C[C@@]23C[C@H]([C@]4([C@@H](C[C@@H](C4(C)C)O)[C@]([C@@H]2CC[C@@H]1[C@H]3O)(C)O)O)O)O
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