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2,24-Dihydroxyursolic acid

CAT: 0926-FD42682-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0926-FD42682-01Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
143839-02-5
MDL Number
MFCD17214826
Smiles
C[C@@H]1CC[C@@]2 (CC[C@@]3 (C (=CC[C@H]4[C@]3 (CCC5[C@@]4 (CC ([C@@H] (C5 (C) CO) O) O) C) C) [C@@H]2[C@H]1C) C) C (=O) O
Molecular Formula
C30H48O5
Molecular Weight
488.7 g/mol
Controlled
No

Chemical Information

CID 73554050
CAS Number143839-02-5
PubChem CID73554050
IUPAC Name(1S,2R,4aS,6aR,6aS,6bR,10R,12aR,14bS)-10,11-dihydroxy-9-(hydroxymethyl)-1,2,6a,6b,9,12a-hexamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-4a-carboxylic acid
Molecular FormulaC30H48O5
Molecular Weight488.7
XLogP5.7
Topological Polar Surface Area98
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Heavy Atom Count35
Formal Charge0
Complexity930
SMILES
C[C@@H]1CC[C@@]2(CC[C@@]3(C(=CC[C@H]4[C@]3(CCC5[C@@]4(CC([C@@H](C5(C)CO)O)O)C)C)[C@@H]2[C@H]1C)C)C(=O)O
InChI
InChI=1S/C30H48O5/c1-17-9-12-30(25(34)35)14-13-28(5)19(23(30)18(17)2)7-8-22-26(3)15-20(32)24(33)27(4,16-31)21(26)10-11-29(22,28)6/h7,17-18,20-24,31-33H,8-16H2,1-6H3,(H,34,35)/t17-,18+,20?,21?,22-,23+,24+,26+,27?,28-,29-,30+/m1/s1
InChIKey
JXSVIVRDWWRQRT-MRWSKXGLSA-N
Chemical Structure
2D Structure
2D structure of CID 73554050
CAS: 143839-02-5
CID: 73554050
Formula: C30H48O5
MW: 488.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight488.7
XLogP35.7
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
Complexity930
Isotope Atom Count0
Defined Atom Stereocenter Count9
Undefined Atom Stereocenter Count3
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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