COC1C(CC2CN3CCC4=C(C3CC2C1C(=O)OC)NC5=C4C=CC(=C5)OC)OC(=O)C6=CC(=C(C(=C6)OC)OC)OC
CAS: 50-55-5
الاسم: methyl (1R,15S,17R,18R,19S,20S)-6,18-dimethoxy-17-(3,4,5-trimethoxybenzoyl)oxy-1,3,11,12,14,15,16,17,18,19,20,21-dodecahydroyohimban-19-carboxylate
SMILES: COC1C(CC2CN3CCC4=C(C3CC2C1C(=O)OC)NC5=C4C=CC(=C5)OC)OC(=O)C6=CC(=C(C(=C6)OC)OC)OC

Molecular Processing

Molecular formula
C33H40N2O9
Molecular weight
608.69
Exact mass
608.2734
XLogP
4.17
TPSA
117.78
H-bond donors
1
H-bond acceptors
10
Rotatable bonds
8
Heavy atoms
44
Rings
6
Aromatic rings
3
Saturated rings
2
Aliphatic rings
3
Stereo centers
6
Undefined stereo
6
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.515
Molar refractivity
160.69

Supplementary Information

InChIKey: QEVHRUUCFGRFIF-MDEJGZGSSA-N
مرادفات
reserpine50-55-5SerpalanSerpasilApoplonSandrilSerpiviteAlserinRau-Sed(-)-ReserpineDeserpineElserpineEskaserpHiserpiaRaunervilRaupasilRausedilRausedylRausingleRauwasedinReserpinReserpinaReserpoidRoxinoidSerpanrayBenazylResineRivasinSerpateAustrapine
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