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Renchangianin B

CAT: 0013-GTR19219200-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19219200-01Size:1 mg
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Description
Renchangianin B (compound 2) is a dibenzo[cyclooctene] lignan isolated from Kadsura renchangiana stems. This natural product is utilized in biochemical research, particularly for in vitro studies investigating its potential biological activities as reported in scientific literature.
CAS Number
770733-54-5
Smiles
O=C (OC1C=2C=C (OC) C (OC) =C (O) C2C3=C (O) C (OC) =C (OC) C=C3C (OC (=O) C (=CC) C) C (C) C1 (O) C) C=4C=CC=CC4
Molecular Formula
C34H38O11
Molecular Weight
622.66
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Renchangianin B
CAS Number770733-54-5
PubChem CID102073771
IUPAC Name[(8S,9S,10S,11R)-3,9,16-trihydroxy-4,5,14,15-tetramethoxy-9,10-dimethyl-11-[(Z)-2-methylbut-2-enoyl]oxy-8-tricyclo[10.4.0.02,7]hexadeca-1(16),2,4,6,12,14-hexaenyl] benzoate
Molecular FormulaC34H38O11
Molecular Weight622.7
XLogP5.2
Topological Polar Surface Area150
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count11
Rotatable Bond Count10
Heavy Atom Count45
Formal Charge0
Complexity1040
SMILES
C/C=C(/C)\C(=O)O[C@@H]1[C@@H]([C@]([C@H](C2=CC(=C(C(=C2C3=C(C(=C(C=C13)OC)OC)O)O)OC)OC)OC(=O)C4=CC=CC=C4)(C)O)C
InChI
InChI=1S/C34H38O11/c1-9-17(2)32(37)44-28-18(3)34(4,39)31(45-33(38)19-13-11-10-12-14-19)21-16-23(41-6)30(43-8)27(36)25(21)24-20(28)15-22(40-5)29(42-7)26(24)35/h9-16,18,28,31,35-36,39H,1-8H3/b17-9-/t18-,28+,31-,34-/m0/s1
InChIKey
FGACFCPIJZFIEZ-NLBSZNOBSA-N
Chemical Structure
2D Structure
2D structure of Renchangianin B
CAS: 770733-54-5
CID: 102073771
Formula: C34H38O11
MW: 622.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight622.7
XLogP35.2
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count11
Rotatable Bond Count10
Exact Mass622.24141202
Monoisotopic Mass622.24141202
Topological Polar Surface Area150 Ų
Heavy Atom Count45
Formal Charge0
Complexity1040
Isotope Atom Count0
Defined Atom Stereocenter Count4
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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