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Lantanolic acid

CAT: 0804-HY-126698Size: InquireDry Ice: NoHazardous: No
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CAS Number
32303-26-7
UNSPSC Description
Lantanolic acid is a lantanolic acid that can be isolated from the aerial parts of Crataegus pinnatifida.
Target Antigen
Others
Type
Natural Products
Related Pathways
Others
Field of Research
Others
Assay Protocol
https://www.medchemexpress.com/lantanolic-acid.html
Smiles
CC1(C)[C@@]2(O)CC[C@]3(CO2)[C@@]4([H])CC=C5[C@]6([H])CC(C)(C)CC[C@@](C(O)=O)6CC[C@](C)5[C@@](C)4CC[C@@]13[H]
Molecular Weight
470.68
References & Citations
[1]Noroleanane Triterpenoids from the Aerial Parts of Lantana camara
Shipping Conditions
Room temperature
Clinical Information
No Development Reported

Chemical Information

Lantanolic Acid

Lantanolic acid has been reported in Lippia turbinata, Varronia multispicata, and Lantana camara with data available.

CAS Number32303-26-7
PubChem CID15560079
IUPAC Name(1S,2S,6S,11S,14S,15R,18R,20R)-20-hydroxy-8,8,14,15,19,19-hexamethyl-21-oxahexacyclo[18.2.2.01,18.02,15.05,14.06,11]tetracos-4-ene-11-carboxylic acid
Molecular FormulaC30H46O4
Molecular Weight470.7
XLogP6.5
Topological Polar Surface Area66.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Heavy Atom Count34
Formal Charge0
Complexity965
SMILES
C[C@@]12CC[C@@H]3[C@@]4([C@H]1CC=C5[C@]2(CC[C@@]6([C@H]5CC(CC6)(C)C)C(=O)O)C)CC[C@](C3(C)C)(OC4)O
InChI
InChI=1S/C30H46O4/c1-24(2)11-13-28(23(31)32)14-12-26(5)19(20(28)17-24)7-8-22-27(26,6)10-9-21-25(3,4)30(33)16-15-29(21,22)18-34-30/h7,20-22,33H,8-18H2,1-6H3,(H,31,32)/t20-,21-,22-,26+,27+,28-,29+,30+/m0/s1
InChIKey
UFVGYQQCHANGSN-XFGDDKMHSA-N
Chemical Structure
2D Structure
2D structure of Lantanolic Acid
CAS: 32303-26-7
CID: 15560079
Formula: C30H46O4
MW: 470.7
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight470.7
XLogP36.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Exact Mass470.33960994
Monoisotopic Mass470.33960994
Topological Polar Surface Area66.8 Ų
Heavy Atom Count34
Formal Charge0
Complexity965
Isotope Atom Count0
Defined Atom Stereocenter Count8
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes