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144629-84-5 | Olean-12-en-29-oic acid, 22-hydroxy-3-oxo-, (20α,22β)-
CAS No: 144629-84-5 Catalog No: AG001JVM MDL No:MFCD20274876
Product Description
Catalog Number:
AG001JVM
Chemical Name:
Olean-12-en-29-oic acid, 22-hydroxy-3-oxo-, (20α,22β)-
CAS Number:
144629-84-5
MDL Number:
MFCD20274876
IUPAC Name:
(4aR,6aR,6aS,6bR,12aR,14bR)-4-hydroxy-2,4a,6a,6b,9,9,12a-heptamethyl-10-oxo-3,4,5,6,6a,7,8,8a,11,12,13,14b-dodecahydro-1H-picene-2-carboxylic acid
InChI:
InChI=1S/C30H46O4/c1-25(2)20-10-13-30(7)21(28(20,5)12-11-22(25)31)9-8-18-19-16-26(3,24(33)34)17-23(32)27(19,4)14-15-29(18,30)6/h8,19-21,23,32H,9-17H2,1-7H3,(H,33,34)/t19-,20?,21-,23?,26?,27-,28+,29-,30-/m1/s1
InChI Key:
RUJQEBHXYLCSKV-RKBHPYEFSA-N
Properties
Complexity:
965
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
6
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:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
5.8
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