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15-Hydroxypinusolidic acid

CAT: 0804-HY-N8792Size: 1 EachDry Ice: NoHazardous: No
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Description
15-Hydroxypinusolidic acid (compound 5) is a diterpenoid compound isolated from the heartwood of Pinus armandii Francher[1].
CAS Number
691009-85-5
UNSPSC
12352005
Target
Others
Type
Natural Products
Related Pathways
Others
Field of Research
Others
Assay Protocol
https://www.medchemexpress.com/15-hydroxypinusolidic-acid.html
Solubility
10 mM in DMSO
Smiles
C[C@]([C@H]1CCC(C(O2)O)=CC2=O)(CCC3)[C@](CCC1=C)([H])[C@@]3(C)C(O)=O
Molecular Formula
C20H28O5
Molecular Weight
348.43
References & Citations
[1]Zhao YX, et al. A new diterpenoid and active stilbenes from Pinus armandii heartwood. J Asian Nat Prod Res. 2005;7 (3) :259-264.
Shipping Conditions
Room temperature
Scientific Category
Natural Products
Clinical Information
No Development Reported

Chemical Information

16-Hydroxy-8(17),13-labdadien-15,16-olid-19-oic acid

16-Hydroxy-8(17),13-labdadien-15,16-olid-19-oic acid has been reported in Platycladus orientalis with data available.

CAS Number691009-85-5
PubChem CID14287153
IUPAC Name(1S,4aR,5S,8aR)-5-[2-(2-hydroxy-5-oxo-2H-furan-3-yl)ethyl]-1,4a-dimethyl-6-methylidene-3,4,5,7,8,8a-hexahydro-2H-naphthalene-1-carboxylic acid
Molecular FormulaC20H28O5
Molecular Weight348.4
XLogP3.1
Topological Polar Surface Area83.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Heavy Atom Count25
Formal Charge0
Complexity636
SMILES
C[C@]12CCC[C@]([C@@H]1CCC(=C)[C@@H]2CCC3=CC(=O)OC3O)(C)C(=O)O
InChI
InChI=1S/C20H28O5/c1-12-5-8-15-19(2,9-4-10-20(15,3)18(23)24)14(12)7-6-13-11-16(21)25-17(13)22/h11,14-15,17,22H,1,4-10H2,2-3H3,(H,23,24)/t14-,15+,17?,19+,20-/m0/s1
InChIKey
GZTUAPFQPZVTGA-LTWMUGOISA-N
Chemical Structure
2D Structure
2D structure of 16-Hydroxy-8(17),13-labdadien-15,16-olid-19-oic acid
CAS: 691009-85-5
CID: 14287153
Formula: C20H28O5
MW: 348.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight348.4
XLogP33.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Exact Mass348.19367399
Monoisotopic Mass348.19367399
Topological Polar Surface Area83.8 Ų
Heavy Atom Count25
Formal Charge0
Complexity636
Isotope Atom Count0
Defined Atom Stereocenter Count4
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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