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Euphorbia factor L7b

CAT: 1407-AB3279Size: 20 mgDry Ice: NoHazardous: No
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CAT#:1407-AB3279Size:20 mg
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CAS Number
93550-95-9
Purity
98% (HPLC)
Molecular Formula
C33H40O9
Molecular Weight
580.67

Chemical Information

CID 74962707

Euphorbia factor L7b has been reported in Euphorbia lathyris with data available.

CAS Number93550-95-9
PubChem CID74962707
IUPAC Name[1,11-diacetyloxy-10-(acetyloxymethyl)-3,6,6,14-tetramethyl-2-oxo-13-tricyclo[10.3.0.05,7]pentadeca-3,9-dienyl] benzoate
Molecular FormulaC33H40O9
Molecular Weight580.7
XLogP4.6
Topological Polar Surface Area122
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count9
Rotatable Bond Count10
Heavy Atom Count42
Formal Charge0
Complexity1170
SMILES
CC1CC2(C(C1OC(=O)C3=CC=CC=C3)C(C(=CCC4C(C4(C)C)C=C(C2=O)C)COC(=O)C)OC(=O)C)OC(=O)C
InChI
InChI=1S/C33H40O9/c1-18-15-26-25(32(26,6)7)14-13-24(17-39-20(3)34)29(40-21(4)35)27-28(41-31(38)23-11-9-8-10-12-23)19(2)16-33(27,30(18)37)42-22(5)36/h8-13,15,19,25-29H,14,16-17H2,1-7H3
InChIKey
ARUXHDLPKVRONO-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of CID 74962707
CAS: 93550-95-9
CID: 74962707
Formula: C33H40O9
MW: 580.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight580.7
XLogP34.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count9
Rotatable Bond Count10
Exact Mass580.26723285
Monoisotopic Mass580.26723285
Topological Polar Surface Area122 Ų
Heavy Atom Count42
Formal Charge0
Complexity1170
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count7
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count2
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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