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Podocarpic acid

CAT: 0926-FP70271-02Size: 0.5 gDry Ice: NoHazardous: No
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CAT#:0926-FP70271-02Size:0.5 g
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CAS Number
5947-49-9
Synonyms
12-Hydroxy-8,11,13-podocarpatrien-19-oic acid
MDL Number
MFCD00074825
Smiles
C[C@]12CCC[C@] ([C@@H]1CCC3=C2C=C (C=C3) O) (C) C (=O) O
Molecular Formula
C17H22O3
Molecular Weight
274.35 g/mol
Controlled
No

Chemical Information

Podocarpic Acid

Podocarpic acid is an abietane diterpenoid lacking the isopropyl substituent with an aromatic C-ring and a hydroxy group at the 12-position. It derives from a hydride of a podocarpane.

CAS Number5947-49-9
PubChem CID93017
IUPAC Name(1S,4aS,10aR)-6-hydroxy-1,4a-dimethyl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylic acid
Molecular FormulaC17H22O3
Molecular Weight274.35
XLogP4.1
Topological Polar Surface Area57.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Heavy Atom Count20
Formal Charge0
Complexity407
SMILES
C[C@]12CCC[C@]([C@@H]1CCC3=C2C=C(C=C3)O)(C)C(=O)O
InChI
InChI=1S/C17H22O3/c1-16-8-3-9-17(2,15(19)20)14(16)7-5-11-4-6-12(18)10-13(11)16/h4,6,10,14,18H,3,5,7-9H2,1-2H3,(H,19,20)/t14-,16-,17+/m1/s1
InChIKey
VJILEYKNALCDDV-OIISXLGYSA-N
Chemical Structure
2D Structure
2D structure of Podocarpic Acid
CAS: 5947-49-9
CID: 93017
Formula: C17H22O3
MW: 274.35
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight274.35
XLogP34.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Exact Mass274.15689456
Monoisotopic Mass274.15689456
Topological Polar Surface Area57.5 Ų
Heavy Atom Count20
Formal Charge0
Complexity407
Isotope Atom Count0
Defined Atom Stereocenter Count3
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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