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Chemical structure of 23-Hydroxylongispinogenin

GC35078

23-Hydroxylongispinogenin

Also known as (3S,4R,4aR,6aR,6bS,8S,8aS,12aS,14aR,14bR)-4,8a-bis(hydroxymethyl)-4,6a,6b,11,11,14b-hexamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicene-3,8-diol

23-Hydroxylongispinogenin (12-Oleanene-3β,16β,23,28-tetrol) is extracted from Lysimachia heterogenea Klatt· Lysimachia heterogenea Klatt is a perennial herb, which is used as a folk medicine in subduing swelling and detoxicating in China· The effective fraction LH-1 of L· heterogene has antitumor activity

ChemicalCAS42483-24-9MW474.72FormulaC30H50O4
CAS number
42483-24-9
Molecular weight
474.72
Formula
C30H50O4
Solubility
Soluble in DMSO
InChIKey
IACGAAXNDKIGSX-FMGQVEPTSA-N
Catalogue number
GC35078
Brand
GLPBIO
Computed properties PubChem CID 13322806 · XLogP 6.3 · TPSA 80.9 Ų · H-bond donors 4
XLogP
6.3
TPSA
80.9 Ų
H-bond donors
4
H-bond acceptors
4
Rotatable bonds
2
Heavy atoms
34

SMILES C[C@]12CC[C@@H]([C@@]([C@@H]1CC[C@@]3([C@@H]2CC=C4[C@]3(C[C@@H]([C@@]5([C@H]4CC(CC5)(C)C)CO)O)C)C)(C)CO)O

Computed descriptors from PubChem (CID 13322806), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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