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Cannabisin P

CAT: 0926-FC183987-01Size: 2 mgDry Ice: NoHazardous: No
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CAT#:0926-FC183987-01Size:2 mg
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CAS Number
2756983-19-2
Molecular Formula
C34H34N2O9
Molecular Weight
614.64 g/mol
Controlled
No

Chemical Information

Cannabisin P
CAS Number2756983-19-2
PubChem CID168432634
IUPAC Name(1R,2S,3R,4S)-1-(3,4-dihydroxyphenyl)-4,6,7-trihydroxy-2-N,3-N-bis[2-(4-hydroxyphenyl)ethyl]-1,2,3,4-tetrahydronaphthalene-2,3-dicarboxamide
Molecular FormulaC34H34N2O9
Molecular Weight614.6
XLogP3.5
Topological Polar Surface Area200
Hydrogen Bond Donor Count9
Hydrogen Bond Acceptor Count9
Rotatable Bond Count9
Heavy Atom Count45
Formal Charge0
Complexity969
SMILES
C1=CC(=CC=C1CCNC(=O)[C@@H]2[C@H]([C@@H](C3=CC(=C(C=C3[C@H]2C4=CC(=C(C=C4)O)O)O)O)O)C(=O)NCCC5=CC=C(C=C5)O)O
InChI
InChI=1S/C34H34N2O9/c37-21-6-1-18(2-7-21)11-13-35-33(44)30-29(20-5-10-25(39)26(40)15-20)23-16-27(41)28(42)17-24(23)32(43)31(30)34(45)36-14-12-19-3-8-22(38)9-4-19/h1-10,15-17,29-32,37-43H,11-14H2,(H,35,44)(H,36,45)/t29-,30+,31-,32-/m1/s1
InChIKey
MBNIRPJOKBPXPI-VWPRMMSESA-N
Chemical Structure
2D Structure
2D structure of Cannabisin P
CAS: 2756983-19-2
CID: 168432634
Formula: C34H34N2O9
MW: 614.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight614.6
XLogP33.5
Hydrogen Bond Donor Count9
Hydrogen Bond Acceptor Count9
Rotatable Bond Count9
Exact Mass614.22643067
Monoisotopic Mass614.22643067
Topological Polar Surface Area200 Ų
Heavy Atom Count45
Formal Charge0
Complexity969
Isotope Atom Count0
Defined Atom Stereocenter Count4
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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