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Camelliagenin B

CAT: 1266-JH915436Size: 1 EachDry Ice: NoHazardous: No
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CAT#:1266-JH915436Size:1 Each
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CAS Number
14511-74-1
Molecular Formula
C30H48O5
Molecular Weight
488.7

Chemical Information

Camelliagenin B

Camelliagenin B is a triterpenoid.

CAS Number14511-74-1
PubChem CID10051197
IUPAC Name(3S,4S,4aR,6aR,6bS,8R,8aS,9S,12aS,14aR,14bR)-3,8,9-trihydroxy-8a-(hydroxymethyl)-4,6a,6b,11,11,14b-hexamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicene-4-carbaldehyde
Molecular FormulaC30H48O5
Molecular Weight488.7
XLogP5
Topological Polar Surface Area98
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Heavy Atom Count35
Formal Charge0
Complexity928
SMILES
C[C@]12CC[C@@H]([C@@]([C@@H]1CC[C@@]3([C@@H]2CC=C4[C@]3(C[C@H]([C@@]5([C@H]4CC(C[C@@H]5O)(C)C)CO)O)C)C)(C)C=O)O
InChI
InChI=1S/C30H48O5/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/h7,16,19-24,32-35H,8-15,17H2,1-6H3/t19-,20+,21+,22-,23-,24+,26-,27-,28+,29+,30+/m0/s1
InChIKey
RJEBVLDZINEMCO-CUCCWGAISA-N
Chemical Structure
2D Structure
2D structure of Camelliagenin B
CAS: 14511-74-1
CID: 10051197
Formula: C30H48O5
MW: 488.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight488.7
XLogP35
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Exact Mass488.35017463
Monoisotopic Mass488.35017463
Topological Polar Surface Area98 Ų
Heavy Atom Count35
Formal Charge0
Complexity928
Isotope Atom Count0
Defined Atom Stereocenter Count11
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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