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6879-05-6 | Dehydrotrametenolic acid
CAS No: 6879-05-6 Catalog No: AG0039XI MDL No:
Product Description
Catalog Number:
AG0039XI
Chemical Name:
Dehydrotrametenolic acid
CAS Number:
6879-05-6
IUPAC Name:
(2R)-2-[(3S,5R,10S,13R,14R,17R)-3-hydroxy-4,4,10,13,14-pentamethyl-2,3,5,6,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl]-6-methyl-5-methylideneheptanoic acid
InChI:
InChI=1S/C31H48O3/c1-19(2)20(3)9-10-21(27(33)34)22-13-17-31(8)24-11-12-25-28(4,5)26(32)15-16-29(25,6)23(24)14-18-30(22,31)7/h11,14,19,21-22,25-26,32H,3,9-10,12-13,15-18H2,1-2,4-8H3,(H,33,34)/t21-,22-,25+,26+,29-,30-,31+/m1/s1
InChI Key:
ONFPYGOMAADWAT-OXUZYLMNSA-N
Properties
Complexity:
923
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
7
Defined Bond Stereocenter Count:
0
Exact Mass:
468.36g/mol
Formal Charge:
0
Heavy Atom Count:
34
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
468.722g/mol
Monoisotopic Mass:
468.36g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
57.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7.7
Literature
| Title | Journal |
|---|---|
| Dehydroeburicoic acid induces calcium- and calpain-dependent necrosis in human U87MG glioblastomas. | Chemical research in toxicology 20091101 |
| Triterpene acids from Poria cocos and their anti-tumor-promoting effects. | Journal of natural products 20070601 |
| Anti-inflammatory benzenoids from Antrodia camphorata. | Journal of natural products 20070601 |
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