BGC > Product Search > 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 | 36519-42-3

Molecular Formula: C42H44N4O5

Description :
Serpentinine is isolated from the roots of Rauvolfia verticillata (Lour.) Baill.

• Molecular Weight :684.8
• Melting Point :265-270°C (decomp)
• Purity :97%

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
Appearance :
Powder
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

More details are to be found here