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Chemical structure of Hodgkinsine B

GC48454

Hodgkinsine B

Also known as (3aS,8bS)-5,8b-bis[(3aR,8bR)-3-methyl-1,2,3a,4-tetrahydropyrrolo[2,3-b]indol-8b-yl]-3-methyl-1,2,3a,4-tetrahydropyrrolo[2,3-b]indole

An alkaloid with analgesic activity

ChemicalCAS586955-76-2MW518.7FormulaC33H38N6
CAS number
586955-76-2
Molecular weight
518.7
Formula
C33H38N6
InChIKey
DPVWJPVYOXKFRQ-BFZJMCNQSA-N
Catalogue number
GC48454
Brand
GLPBIO
Computed properties PubChem CID 12041884 · XLogP 5.7 · TPSA 45.8 Ų · H-bond donors 3
XLogP
5.7
TPSA
45.8 Ų
H-bond donors
3
H-bond acceptors
6
Rotatable bonds
2
Heavy atoms
39

SMILES CN1CC[C@]2([C@@H]1NC3=CC=CC=C32)C4=C5C(=CC=C4)[C@@]6(CCN([C@@H]6N5)C)[C@]78CCN([C@H]7NC9=CC=CC=C89)C

Computed descriptors from PubChem (CID 12041884), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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