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Chemical structure of 14α-hydroxy Paspalinine

GC41919

14α-hydroxy Paspalinine

Also known as (1S,4R,5S,16R,18S,19S,23R)-18,19-dihydroxy-4,5,24,24-tetramethyl-25,26-dioxa-7-azaheptacyclo[21.2.1.01,20.04,19.05,16.06,14.08,13]hexacosa-6(14),8,10,12,20-pentaen-22-one

14α-hydroxy Paspalinine is an indole diterpene fungal metabolite originally isolated from A

ChemicalCAS151341-77-4MW449.5FormulaC27H31NO5
CAS number
151341-77-4
Molecular weight
449.5
Formula
C27H31NO5
Solubility
Soluble in DMSO
InChIKey
JNHPMJVSUJKCKH-KCCNSQSLSA-N
Catalogue number
GC41919
Brand
GLPBIO
Computed properties PubChem CID 10072409 · XLogP 2.2 · TPSA 91.8 Ų · H-bond donors 3
XLogP
2.2
TPSA
91.8 Ų
H-bond donors
3
H-bond acceptors
5
Rotatable bonds
0
Heavy atoms
33

SMILES C[C@]12CC[C@]34C(=CC(=O)[C@H](O3)C(O4)(C)C)[C@@]1([C@H](C[C@@H]5[C@@]2(C6=C(C5)C7=CC=CC=C7N6)C)O)O

Computed descriptors from PubChem (CID 10072409), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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