Serpentinine

For Research Use Only.
Category
Alkaloids
Cat.No.
NP0446
CAS
36519-42-3
Product Name
Serpentinine
Structure

Product Details

Description
Serpentinine is isolated from the roots of Rauvolfia verticillata (Lour.) Baill.
Synonyms
3,5,6,16,17-Pentadehydro-6-[(16S,19E)-19,20-didehydro-16-(methoxycarbonyl)corynan-17-yl]-16-methoxycarbonyl-19α-methyl-18-oxayohimban-4-ium
IUPAC Name
methyl 11-[2-(3-ethylidene-2,4,6,7,12,12b-hexahydro-1H-indolo[2,3-a]quinolizin-2-yl)-3-methoxy-3-oxopropyl]-16-methyl-17-oxa-3-aza-13-azoniapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(13),2(10),4,6,8,11,18-heptaene-19-carboxylate
Molecular Weight
684.8
Molecular Formula
C42H44N4O5
Canonical SMILES
CC=C1CN2CCC3=C(C2CC1C(CC4=C[N+]5=C(CC6C(C5)C(OC=C6C(=O)OC)C)C7=C4C8=CC=CC=C8N7)C(=O)OC)NC9=CC=CC=C39
InChI
InChI=1S/C42H44N4O5/c1-5-24-19-45-15-14-27-26-10-6-8-12-34(26)43-39(27)36(45)17-29(24)31(41(47)49-3)16-25-20-46-21-32-23(2)51-22-33(42(48)50-4)30(32)18-37(46)40-38(25)28-11-7-9-13-35(28)44-40/h5-13,20,22-23,29-32,36,43H,14-19,21H2,1-4H3/p+1
InChIKey
QWAUBSSAJRGKPX-UHFFFAOYSA-O
Melting Point
265-270°C (decomp)
Purity
97%
Appearance
Powder
Color
Brown
Form
Powder
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