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Kuguacin J

CAT: 0926-RVB45365-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0926-RVB45365-01Size:10 mg
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CAS Number
1141453-65-7
MDL Number
MFCD25371936
Smiles
CC (CC=CC (=C) C) C1CCC2 (C1 (CCC3 (C2C (C=C4C3CCC (C4 (C) C) O) O) C=O) C) C
Molecular Formula
C30H46O3
Molecular Weight
454.7 g/mol
Controlled
No

Chemical Information

Kuguacin J

Kuguacin J has been reported in Momordica charantia with data available.

CAS Number1141453-65-7
PubChem CID25243357
IUPAC Name(3S,7S,8S,9R,10R,13R,14S,17R)-3,7-dihydroxy-4,4,13,14-tetramethyl-17-[(2R,4E)-6-methylhepta-4,6-dien-2-yl]-2,3,7,8,10,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene-9-carbaldehyde
Molecular FormulaC30H46O3
Molecular Weight454.7
XLogP6.4
Topological Polar Surface Area57.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count5
Heavy Atom Count33
Formal Charge0
Complexity868
SMILES
C[C@H](C/C=C/C(=C)C)[C@H]1CC[C@@]2([C@@]1(CC[C@@]3([C@H]2[C@H](C=C4[C@H]3CC[C@@H](C4(C)C)O)O)C=O)C)C
InChI
InChI=1S/C30H46O3/c1-19(2)9-8-10-20(3)21-13-14-29(7)26-24(32)17-23-22(11-12-25(33)27(23,4)5)30(26,18-31)16-15-28(21,29)6/h8-9,17-18,20-22,24-26,32-33H,1,10-16H2,2-7H3/b9-8+/t20-,21-,22-,24+,25+,26+,28-,29+,30-/m1/s1
InChIKey
JWZXELQQTJCVII-KPBOVSLYSA-N
Chemical Structure
2D Structure
2D structure of Kuguacin J
CAS: 1141453-65-7
CID: 25243357
Formula: C30H46O3
MW: 454.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight454.7
XLogP36.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count5
Exact Mass454.34469533
Monoisotopic Mass454.34469533
Topological Polar Surface Area57.5 Ų
Heavy Atom Count33
Formal Charge0
Complexity868
Isotope Atom Count0
Defined Atom Stereocenter Count9
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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