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145525-33-3 | Lanosta-8,24-dien-30-oic acid, 3-oxo-
CAS No: 145525-33-3 Catalog No: AG001D5L MDL No:
Product Description
Catalog Number:
AG001D5L
Chemical Name:
Lanosta-8,24-dien-30-oic acid, 3-oxo-
CAS Number:
145525-33-3
Molecular Formula:
C30H46O3
Molecular Weight:
454.6844
IUPAC Name:
(10S,13R,14S,17R)-4,4,10,13-tetramethyl-17-[(2R)-6-methylhept-5-en-2-yl]-3-oxo-1,2,5,6,7,11,12,15,16,17-decahydrocyclopenta[a]phenanthrene-14-carboxylic acid
InChI:
InChI=1S/C30H46O3/c1-19(2)9-8-10-20(3)21-14-18-30(26(32)33)23-11-12-24-27(4,5)25(31)15-16-28(24,6)22(23)13-17-29(21,30)7/h9,20-21,24H,8,10-18H2,1-7H3,(H,32,33)/t20-,21-,24?,28-,29-,30+/m1/s1
InChI Key:
KRBPNFFLXMZLCT-RRKKILLZSA-N
SMILES:
CC(=CCC[C@H]([C@H]1CC[C@@]2([C@]1(C)CCC1=C2CCC2[C@]1(C)CCC(=O)C2(C)C)C(=O)O)C)C
Properties
Complexity:
904
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
5
Defined Bond Stereocenter Count:
0
Exact Mass:
454.345g/mol
Formal Charge:
0
Heavy Atom Count:
33
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
454.695g/mol
Monoisotopic Mass:
454.345g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
54.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
7.1
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