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Imbricatoloic acid

CAT: 0804-HY-N4013Size: 1 EachDry Ice: NoHazardous: No
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Description
Imbricatoloic acid is a Diterpenoids product that can be isolated from the barks of Pinus massoniana Lamb.[1].
CAS Number
6832-60-6
UNSPSC
12352211
Hazard Statement
H302-H315-H319-H335
Target
Others
Type
Natural Products
Related Pathways
Others
Field of Research
Others
Assay Protocol
https://www.medchemexpress.com/imbricatoloic-acid.html
Smiles
C[C@@]1([C@H]2CC[C@H](C)CCO)[C@](CCC2=C)([H])[C@](C)(CCC1)C(O)=O
Molecular Formula
C20H34O3
Molecular Weight
322.48
Precautions
P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501
Shipping Conditions
Room temperature
Scientific Category
Natural Products
Clinical Information
No Development Reported

Chemical Information

Imbricatolic Acid

Imbricatolic Acid has been reported in Pteris linearis, Juniperus formosana, and other organisms with data available.

CAS Number6832-60-6
PubChem CID70688370
IUPAC Name(1S,4aR,5S,8aR)-5-[(3S)-5-hydroxy-3-methylpentyl]-1,4a-dimethyl-6-methylidene-3,4,5,7,8,8a-hexahydro-2H-naphthalene-1-carboxylic acid
Molecular FormulaC20H34O3
Molecular Weight322.5
XLogP4.9
Topological Polar Surface Area57.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count6
Heavy Atom Count23
Formal Charge0
Complexity458
SMILES
C[C@@H](CC[C@H]1C(=C)CC[C@@H]2[C@@]1(CCC[C@]2(C)C(=O)O)C)CCO
InChI
InChI=1S/C20H34O3/c1-14(10-13-21)6-8-16-15(2)7-9-17-19(16,3)11-5-12-20(17,4)18(22)23/h14,16-17,21H,2,5-13H2,1,3-4H3,(H,22,23)/t14-,16-,17+,19+,20-/m0/s1
InChIKey
NSRKLZRKJJQJLD-BEUFEYIVSA-N
Chemical Structure
2D Structure
2D structure of Imbricatolic Acid
CAS: 6832-60-6
CID: 70688370
Formula: C20H34O3
MW: 322.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight322.5
XLogP34.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count6
Exact Mass322.25079494
Monoisotopic Mass322.25079494
Topological Polar Surface Area57.5 Ų
Heavy Atom Count23
Formal Charge0
Complexity458
Isotope Atom Count0
Defined Atom Stereocenter Count5
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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