grayanotoxin I

Molecular Formula: C22H36O7


InChI: InChI=1/C22H36O7/c1-11(23)29-17-12-6-7-13-20(5,27)14-8-15(24)18(2,3)22(14,28)16(25)9-21(13,17)10-19(12,4)26/h12-17,24-28H,6-10H2,1-5H3/t12-,13+,14+,15+,16-,17-,19-,20-,21+,22+/m1/s1

InChIKey: InChIKey=NXCYBYJXCJWMRY-VGBBEZPXBX
SMILES: [H][C@]12CC[C@H]3[C@@](C)(O)[C@]4([H])C[C@H](O)C(C)(C)[C@@]4(O)[C@H](O)C[C@@]3(C[C@@]1(C)O)[C@@H]2OC(C)=O

CAS number 4720-09-6

Names:
    CHEBI:5542
    GRAYANOTOXIN I
    Grayanotoxin I
    grayanotoxin I
    (14R)-3beta,5,6beta,10,16-pentahydroxygrayanotoxan-14-yl acetate
    (3beta,6beta,14R)-Grayanotoxane-3,5,6,10,14,16-hexol, 14-acetate
    (3β,6β,14R)-Grayanotoxane-3,5,6,10,14,16-hexol, 14-acetate
    4720-09-6

Registries:
    PubChem CID 9548612
    Beilstein =2065643
    CAS 4720-09-6 (from NIST)
    ChEBI 5542
    Kegg C09103
    PubChem ID 11295
    PubChem ID 14717844