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1242085-06-8 | Urs-12-ene-3,16,22-triol, (3β,16β,22α)-
CAS No: 1242085-06-8 Catalog No: AG000LO3 MDL No:MFCD20274898
Product Description
Catalog Number:
AG000LO3
Chemical Name:
Urs-12-ene-3,16,22-triol, (3β,16β,22α)-
CAS Number:
1242085-06-8
MDL Number:
MFCD20274898
IUPAC Name:
(3S,4aR,6aR,6bS,8S,8aR,9S,11R,12S,12aS,14aR,14bR)-4,4,6a,6b,8a,11,12,14b-octamethyl-2,3,4a,5,6,7,8,9,10,11,12,12a,14,14a-tetradecahydro-1H-picene-3,8,9-triol
InChI:
InChI=1S/C30H50O3/c1-17-15-23(32)30(8)24(33)16-29(7)19(25(30)18(17)2)9-10-21-27(5)13-12-22(31)26(3,4)20(27)11-14-28(21,29)6/h9,17-18,20-25,31-33H,10-16H2,1-8H3/t17-,18+,20+,21-,22+,23+,24+,25+,27+,28-,29-,30-/m1/s1
InChI Key:
BEGONBGYCMTFIR-RZAVEIDBSA-N
Properties
Complexity:
848
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
12
Defined Bond Stereocenter Count:
0
Exact Mass:
458.376g/mol
Formal Charge:
0
Heavy Atom Count:
33
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
458.727g/mol
Monoisotopic Mass:
458.376g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
60.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.3
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