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Chemical structure of Segetalin B

GC63185

Segetalin B

Also known as (3S,6S,9S,12S)-6-(1H-indol-3-ylmethyl)-3,9-dimethyl-12-propan-2-yl-1,4,7,10,13-pentazacyclopentadecane-2,5,8,11,14-pentone

Segetalin B, a cyclopentapeptide from Vaccaria segetalis, possesses estrogen-like activity

ChemicalCAS164991-89-3MW484.55FormulaC24H32N6O5
CAS number
164991-89-3
Molecular weight
484.55
Formula
C24H32N6O5
Solubility
DMSO ： 250 mg/mL (515·94 mM; Need ultrasonic)
InChIKey
VBQDUSUKSGAFMN-OACKDKIBSA-N
Catalogue number
GC63185
Brand
GLPBIO
Computed properties PubChem CID 10345235 · XLogP 1 · TPSA 161 Ų · H-bond donors 6
XLogP
1
TPSA
161 Ų
H-bond donors
6
H-bond acceptors
5
Rotatable bonds
3
Heavy atoms
35

SMILES C[C@H]1C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N1)CC2=CNC3=CC=CC=C32)C)C(C)C

Computed descriptors from PubChem (CID 10345235), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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