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262272-76-4 | 30-Norlupane-23,28-dioic acid, 3-(acetyloxy)-20-oxo-, (3α,4α)- (9CI)
CAS No: 262272-76-4 Catalog No: AG002SCI MDL No:
Product Description
Catalog Number:
AG002SCI
Chemical Name:
30-Norlupane-23,28-dioic acid, 3-(acetyloxy)-20-oxo-, (3α,4α)- (9CI)
CAS Number:
262272-76-4
IUPAC Name:
(1R,3aS,5aR,5bR,7aR,8S,9R,11aR,11bR,13aR,13bS)-1-acetyl-9-acetyloxy-5a,5b,8,11a-tetramethyl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysene-3a,8-dicarboxylic acid
InChI:
InChI=1S/C31H46O7/c1-17(32)19-9-14-31(26(36)37)16-15-28(4)20(24(19)31)7-8-21-27(3)12-11-23(38-18(2)33)30(6,25(34)35)22(27)10-13-29(21,28)5/h19-24H,7-16H2,1-6H3,(H,34,35)(H,36,37)/t19-,20+,21+,22+,23+,24+,27+,28+,29+,30-,31-/m0/s1
InChI Key:
HYMCMWIFWYXIRT-XGXSGSDFSA-N
Properties
Complexity:
1070
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
11
Defined Bond Stereocenter Count:
0
Exact Mass:
530.324g/mol
Formal Charge:
0
Heavy Atom Count:
38
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
530.702g/mol
Monoisotopic Mass:
530.324g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
118A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.5
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