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149252-87-9 | 9,19-Cyclolanostan-28-oic acid, 3-hydroxy-24-methylene-, (3β,4α)-
CAS No: 149252-87-9 Catalog No: AG001LIL MDL No:MFCD20260625
Product Description
Catalog Number:
AG001LIL
Chemical Name:
9,19-Cyclolanostan-28-oic acid, 3-hydroxy-24-methylene-, (3β,4α)-
CAS Number:
149252-87-9
MDL Number:
MFCD20260625
IUPAC Name:
(1S,3R,6S,7S,8R,11S,12S,15R,16R)-6-hydroxy-7,12,16-trimethyl-15-[(2R)-6-methyl-5-methylideneheptan-2-yl]pentacyclo[9.7.0.01,3.03,8.012,16]octadecane-7-carboxylic acid
InChI:
InChI=1S/C31H50O3/c1-19(2)20(3)8-9-21(4)22-12-14-28(6)23-10-11-24-29(7,26(33)34)25(32)13-15-30(24)18-31(23,30)17-16-27(22,28)5/h19,21-25,32H,3,8-18H2,1-2,4-7H3,(H,33,34)/t21-,22-,23+,24+,25+,27-,28+,29+,30-,31+/m1/s1
InChI Key:
RLRGKMMFFVWPHT-NUYPAGBLSA-N
Properties
Complexity:
878
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
10
Defined Bond Stereocenter Count:
0
Exact Mass:
470.376g/mol
Formal Charge:
0
Heavy Atom Count:
34
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
470.738g/mol
Monoisotopic Mass:
470.376g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
57.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
9.6
Literature
| Title | Journal |
|---|---|
| Anti-HIV-1 cycloartanes from leaves and twigs of Gardenia thailandica. | Planta medica 20040401 |
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