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173991-81-6 | Urs-12-en-30-oic acid, 22-hydroxy-3-oxo-, (22α)-
CAS No: 173991-81-6 Catalog No: AG001ZC9 MDL No:MFCD20261055
Product Description
Catalog Number:
AG001ZC9
Chemical Name:
Urs-12-en-30-oic acid, 22-hydroxy-3-oxo-, (22α)-
CAS Number:
173991-81-6
MDL Number:
MFCD20261055
IUPAC Name:
(1R,2R,4aR,6aR,6aS,6bR,12aR,14bS)-4-hydroxy-1,4a,6a,6b,9,9,12a-heptamethyl-10-oxo-1,2,3,4,5,6,6a,7,8,8a,11,12,13,14b-tetradecahydropicene-2-carboxylic acid
InChI:
InChI=1S/C30H46O4/c1-17-18(25(33)34)16-23(32)28(5)14-15-29(6)19(24(17)28)8-9-21-27(4)12-11-22(31)26(2,3)20(27)10-13-30(21,29)7/h8,17-18,20-21,23-24,32H,9-16H2,1-7H3,(H,33,34)/t17-,18+,20?,21+,23?,24-,27-,28-,29+,30+/m0/s1
InChI Key:
QGMNTKNSMLYTKS-BAKMLKDBSA-N
Properties
Complexity:
950
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
8
Defined Bond Stereocenter Count:
0
Exact Mass:
470.34g/mol
Formal Charge:
0
Heavy Atom Count:
34
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
470.694g/mol
Monoisotopic Mass:
470.34g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
74.6A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
5.9
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