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Syrosingopine

CAT: 0607-BA6781-25Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0607-BA6781-25Size:25 mg
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CAS Number
84-36-6
Form
A solid
Molecular Formula
C35H42N2O11
Molecular Weight
666.71
Shipping Conditions
Blue ice
Storage Conditions
4°C, protect from light.

Chemical Information

Syrosingopine

Syrosingopine is a yohimban alkaloid.

CAS Number84-36-6
PubChem CID6769
IUPAC Namemethyl (1R,15S,17R,18R,19S,20S)-17-(4-ethoxycarbonyloxy-3,5-dimethoxybenzoyl)oxy-6,18-dimethoxy-1,3,11,12,14,15,16,17,18,19,20,21-dodecahydroyohimban-19-carboxylate
Molecular FormulaC35H42N2O11
Molecular Weight666.7
XLogP4.6
Topological Polar Surface Area144
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count12
Rotatable Bond Count13
Heavy Atom Count48
Formal Charge0
Complexity1130
SMILES
CCOC(=O)OC1=C(C=C(C=C1OC)C(=O)O[C@@H]2C[C@@H]3CN4CCC5=C([C@H]4C[C@@H]3[C@@H]([C@H]2OC)C(=O)OC)NC6=C5C=CC(=C6)OC)OC
InChI
InChI=1S/C35H42N2O11/c1-7-46-35(40)48-31-26(42-3)12-18(13-27(31)43-4)33(38)47-28-14-19-17-37-11-10-22-21-9-8-20(41-2)15-24(21)36-30(22)25(37)16-23(19)29(32(28)44-5)34(39)45-6/h8-9,12-13,15,19,23,25,28-29,32,36H,7,10-11,14,16-17H2,1-6H3/t19-,23+,25-,28-,29+,32+/m1/s1
InChIKey
ZCDNRPPFBQDQHR-SSYATKPKSA-N
Chemical Structure
2D Structure
2D structure of Syrosingopine
CAS: 84-36-6
CID: 6769
Formula: C35H42N2O11
MW: 666.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight666.7
XLogP34.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count12
Rotatable Bond Count13
Exact Mass666.27886016
Monoisotopic Mass666.27886016
Topological Polar Surface Area144 Ų
Heavy Atom Count48
Formal Charge0
Complexity1130
Isotope Atom Count0
Defined Atom Stereocenter Count6
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
B1323-5Syrosingopine
HY-N4115R-01Syrosingopine (Standard)
BS300129Syrosingopine - Bio-X TM

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