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Chemical structure of Segetalin A

GC64820

Segetalin A

Also known as (3S,9S,12S,15S,18S)-12-(1H-indol-3-ylmethyl)-9-methyl-3,15-di(propan-2-yl)-1,4,7,10,13,16-hexazabicyclo[16.3.0]henicosane-2,5,8,11,14,17-hexone

Segetalin A is the compound isolated from the seeds of Vaccaria hispanica

ChemicalCAS161875-97-4MW609.72FormulaC31H43N7O6
CAS number
161875-97-4
Molecular weight
609.72
Formula
C31H43N7O6
InChIKey
YVUZOKYOUUCVBV-WJTDBPPMSA-N
Catalogue number
GC64820
Brand
GLPBIO
Computed properties PubChem CID 10483858 · XLogP 2 · TPSA 182 Ų · H-bond donors 6
XLogP
2
TPSA
182 Ų
H-bond donors
6
H-bond acceptors
6
Rotatable bonds
4
Heavy atoms
44

SMILES C[C@H]1C(=O)NCC(=O)N[C@H](C(=O)N2CCC[C@H]2C(=O)N[C@H](C(=O)N[C@H](C(=O)N1)CC3=CNC4=CC=CC=C43)C(C)C)C(C)C

Computed descriptors from PubChem (CID 10483858), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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