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Camelliagenin C

CAT: 1266-JH915437Size: 1 EachDry Ice: NoHazardous: No
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CAS Number
14440-27-8
Molecular Formula
C30H50O5
Molecular Weight
490.715

Chemical Information

Camelliagenin C

Camelliagenin C is a triterpenoid.

CAS Number14440-27-8
PubChem CID12302286
IUPAC Name4,8a-bis(hydroxymethyl)-4,6a,6b,11,11,14b-hexamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicene-3,8,9-triol
Molecular FormulaC30H50O5
Molecular Weight490.7
XLogP5.1
Topological Polar Surface Area101
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Heavy Atom Count35
Formal Charge0
Complexity899
SMILES
CC1(CC2C3=CCC4C5(CCC(C(C5CCC4(C3(CC(C2(C(C1)O)CO)O)C)C)(C)CO)O)C)C
InChI
InChI=1S/C30H50O5/c1-25(2)13-19-18-7-8-21-26(3)11-10-22(33)27(4,16-31)20(26)9-12-28(21,5)29(18,6)15-24(35)30(19,17-32)23(34)14-25/h7,19-24,31-35H,8-17H2,1-6H3
InChIKey
SPCSEMLFKVZFJN-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Camelliagenin C
CAS: 14440-27-8
CID: 12302286
Formula: C30H50O5
MW: 490.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight490.7
XLogP35.1
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Exact Mass490.36582469
Monoisotopic Mass490.36582469
Topological Polar Surface Area101 Ų
Heavy Atom Count35
Formal Charge0
Complexity899
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count11
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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GTR19237404-01Camelliagenin A 22-angelate
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