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Grayanotoxin II
[CAS# 4678-44-8]

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CAS#: 4678-44-8
Product: Grayanotoxin II
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Identification
Name Grayanotoxin II
Synonyms 7,9A-Methano-9Ah-Cyclopenta(B)Heptalene-2,8,11,11A,12(1H)-Pentol, Dodecahydro-1,1,8-Trimethyl-4-Methylene-, (2S,3As,4As,7R,8R,9As,11R,11Ar,12R)-; Deacetylanhydroandromedotoxin; Grayanotox-10(20)-Ene-3,5,6,14,16-Pentol, (3-Beta,6-Beta,14R)-
Molecular Structure CAS#: 4678-44-8, Grayanotoxin II
Molecular Formula C20H32O5
Molecular Weight 352.47
CAS Registry Number 4678-44-8
SMILES [C@]234[C@H](C([C@H]1[C@@](O)(C([C@@H](O)C1)(C)C)[C@H](O)C2)=C)CC[C@H](C3O)[C@](O)(C4)C
InChI 1S/C20H32O5/c1-10-11-5-6-12-16(23)19(11,9-18(12,4)24)8-15(22)20(25)13(10)7-14(21)17(20,2)3/h11-16,21-25H,1,5-9H2,2-4H3/t11-,12+,13-,14-,15+,16?,18+,19-,20-/m0/s1
InChIKey KEOQZUCOGXIEQR-BBLSUVPKSA-N
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