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Sventenic acid

CAT: 0804-HY-N1191Size: 1 EachDry Ice: NoHazardous: No
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Description
Sventenic acid is a Diterpenoids product that can be isolated from the herbs of Rabdosia excisa[1].
CAS Number
126778-79-8
UNSPSC
12352211
Target
Others
Type
Natural Products
Related Pathways
Others
Field of Research
Others
Assay Protocol
https://www.medchemexpress.com/sventenic-acid.html
Smiles
O[C@@H]1[C@]23[C@](CC[C@](C(C3)=C)([H])C2)([H])[C@]4([C@]([C@](C)(CCC4)C(O)=O)([H])C1)C
Molecular Formula
C20H30O3
Molecular Weight
318.45
Shipping Conditions
Room temperature
Scientific Category
Natural Products
Clinical Information
No Development Reported

Chemical Information

7beta-Hydroxykaur-16-en-19-oic acid

(1R,2S,4S,5S,9S,10S,13R)-2-hydroxy-5,9-dimethyl-14-methylidenetetracyclo[11.2.1.0¹,¹⁰.0⁴,⁹]hexadecane-5-carboxylic acid has been reported in Sideritis sventenii with data available.

CAS Number126778-79-8
PubChem CID101526595
IUPAC Name(1R,2S,4S,5S,9S,10S,13R)-2-hydroxy-5,9-dimethyl-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadecane-5-carboxylic acid
Molecular FormulaC20H30O3
Molecular Weight318.4
XLogP3.9
Topological Polar Surface Area57.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Heavy Atom Count23
Formal Charge0
Complexity569
SMILES
C[C@@]12CCC[C@]([C@H]1C[C@@H]([C@]34[C@H]2CC[C@H](C3)C(=C)C4)O)(C)C(=O)O
InChI
InChI=1S/C20H30O3/c1-12-10-20-11-13(12)5-6-14(20)18(2)7-4-8-19(3,17(22)23)15(18)9-16(20)21/h13-16,21H,1,4-11H2,2-3H3,(H,22,23)/t13-,14+,15+,16+,18+,19+,20+/m1/s1
InChIKey
KMLXVEXJZSTMBV-HNFSSWLOSA-N
Chemical Structure
2D Structure
2D structure of 7beta-Hydroxykaur-16-en-19-oic acid
CAS: 126778-79-8
CID: 101526595
Formula: C20H30O3
MW: 318.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight318.4
XLogP33.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Exact Mass318.21949481
Monoisotopic Mass318.21949481
Topological Polar Surface Area57.5 Ų
Heavy Atom Count23
Formal Charge0
Complexity569
Isotope Atom Count0
Defined Atom Stereocenter Count7
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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