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Chemical structure of Inotodiol

GC64440

Inotodiol

Also known as (3S,10S,13R,14R,17R)-17-[(2S,3R)-3-hydroxy-6-methylhept-5-en-2-yl]-4,4,10,13,14-pentamethyl-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-ol

Inotodiol (compound 3) is a lanostane-type triterpenoid compound isolated from the sclerotia of Inonotus obliquus· Inotodiol exhibits the potent anti-tumor promoting activity in the in vivo carcinogenesis test

ChemicalCAS35963-37-2MW442.72FormulaC30H50O2
CAS number
35963-37-2
Molecular weight
442.72
Formula
C30H50O2
InChIKey
KKWJCGCIAHLFNE-UJHWODAZSA-N
Catalogue number
GC64440
Brand
GLPBIO
Computed properties PubChem CID 182264 · XLogP 7.8 · TPSA 40.5 Ų · H-bond donors 2
XLogP
7.8
TPSA
40.5 Ų
H-bond donors
2
H-bond acceptors
2
Rotatable bonds
4
Heavy atoms
32

SMILES C[C@@H]([C@H]1CC[C@@]2([C@@]1(CCC3=C2CCC4[C@@]3(CC[C@@H](C4(C)C)O)C)C)C)[C@@H](CC=C(C)C)O

Computed descriptors from PubChem (CID 182264), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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