Name: Grayanotoxin I
Rating: 4 (6 reviews)

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HIT ID:HIT103699781
Cas No:4720-09-6;4720/9/6
Common Name:Grayanotoxin I
IUPAC:(1S,3R,4R,6S,8S,9R,10R,13R,14R,16R)-3,4,6,9,14-pentahydroxy-5,5,9,14-tetramethyltetracyclo[11.2.1.0^{1,10}.0^{4,8}]hexadecan-16-yl acetate
IUPAC:(1S,3R,4R,6S,8S,9R,10R,13R,14R,16R)-3,4,6,9,14-pentahydroxy-5,5,9,14-tetramethyltetracyclo[11.2.1.0^{1,10}.0^{4,8}]hexadecan-16-yl acetate
InChIKey:NXCYBYJXCJWMRY-VGBBEZPXSA-N

Molecular Formula:C22H36O7
Molecular Weight:412.523
Hydrogen Bond Donor (HBD):5
Hydrogen Bond Acceptor (HBA):6
LogP:-0.773
SMILES:CC(=O)O[C@@H]1[C@H]2CC[C@@H]3[C@@]1(C[C@@]2(C)O)C[C@@H](O)[C@@]1(O)[C@@H](C[C@H](O)C1(C)C)[C@]3(C)O |TLB:3:4:11.10:8.7.6|
SMILES:CC(=O)O[C@@H]1[C@H]2CC[C@@H]3[C@@]1(C[C@@]2(C)O)C[C@@H](O)[C@@]1(O)[C@@H](C[C@H](O)C1(C)C)[C@]3(C)O |TLB:3:4:11.10:8.7.6|

Grayanotoxin I is a natural product for research related to life sciences. The catalog number is TN4165 and the CAS number is 4720-09-6.

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