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
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