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1615-94-7 | A'-Neo-25,26,28-trinorgammacer-5-en-3-ol, 9,13,17-trimethyl-, (3β,8β,9α,10α,13β,14α,17α,18β)-
CAS No: 1615-94-7 Catalog No: AG001VNG MDL No:MFCD17214842
Product Description
Catalog Number:
AG001VNG
Chemical Name:
A'-Neo-25,26,28-trinorgammacer-5-en-3-ol, 9,13,17-trimethyl-, (3β,8β,9α,10α,13β,14α,17α,18β)-
CAS Number:
1615-94-7
MDL Number:
MFCD17214842
IUPAC Name:
(3R,3aR,5aR,5bS,9S,11aS,11bR,13aS,13bR)-3a,5a,8,8,11b,13a-hexamethyl-3-propan-2-yl-1,2,3,4,5,5b,6,9,10,11,11a,12,13,13b-tetradecahydrocyclopenta[a]chrysen-9-ol
InChI:
InChI=1S/C30H50O/c1-19(2)20-9-12-23-27(20,5)15-17-30(8)24-13-10-21-22(11-14-25(31)26(21,3)4)28(24,6)16-18-29(23,30)7/h10,19-20,22-25,31H,9,11-18H2,1-8H3/t20-,22-,23-,24+,25+,27-,28+,29+,30-/m1/s1
InChI Key:
XVXPXUMUGATHPD-JMJRLLIOSA-N
UNII:
6OU4M247SJ
Properties
Complexity:
777
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
9
Defined Bond Stereocenter Count:
0
Exact Mass:
426.386g/mol
Formal Charge:
0
Heavy Atom Count:
31
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
426.729g/mol
Monoisotopic Mass:
426.386g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
9
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