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143839-02-5 | Urs-12-en-28-oic acid, 2,3,23-trihydroxy-, (2α,3β,4β)-
CAS No: 143839-02-5 Catalog No: AG001IGX MDL No:MFCD17214826
Product Description
Catalog Number:
AG001IGX
Chemical Name:
Urs-12-en-28-oic acid, 2,3,23-trihydroxy-, (2α,3β,4β)-
CAS Number:
143839-02-5
MDL Number:
MFCD17214826
IUPAC Name:
(1S,2R,4aS,6aR,6aS,6bR,10R,12aR,14bS)-10,11-dihydroxy-9-(hydroxymethyl)-1,2,6a,6b,9,12a-hexamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-4a-carboxylic acid
InChI:
InChI=1S/C30H48O5/c1-17-9-12-30(25(34)35)14-13-28(5)19(23(30)18(17)2)7-8-22-26(3)15-20(32)24(33)27(4,16-31)21(26)10-11-29(22,28)6/h7,17-18,20-24,31-33H,8-16H2,1-6H3,(H,34,35)/t17-,18+,20?,21?,22-,23+,24+,26+,27?,28-,29-,30+/m1/s1
InChI Key:
JXSVIVRDWWRQRT-MRWSKXGLSA-N
Properties
Complexity:
930
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
9
Defined Bond Stereocenter Count:
0
Exact Mass:
488.35g/mol
Formal Charge:
0
Heavy Atom Count:
35
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
488.709g/mol
Monoisotopic Mass:
488.35g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
98A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
5.7
Literature
| Title | Journal |
|---|---|
| Antioxidant caffeic acid derivatives from leaves of Parthenocissus tricuspidata. | Archives of pharmacal research 20040301 |
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