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132746-03-3 | 26-Norlup-9(11)-en-3-ol, 13-methyl-, (3β,17α)-
CAS No: 132746-03-3 Catalog No: AG00113M MDL No:
Product Description
Catalog Number:
AG00113M
Chemical Name:
26-Norlup-9(11)-en-3-ol, 13-methyl-, (3β,17α)-
CAS Number:
132746-03-3
Molecular Formula:
C30H50O
Molecular Weight:
426.7174
IUPAC Name:
(1S,3aS,5aS,5bS,7aR,9S,11aS,13aR,13bS)-3a,5a,8,8,11a,13a-hexamethyl-1-propan-2-yl-1,2,3,4,5,5b,6,7,7a,9,10,11,13,13b-tetradecahydrocyclopenta[a]chrysen-9-ol
InChI:
InChI=1S/C30H50O/c1-19(2)20-11-14-27(5)17-18-29(7)22-9-10-23-26(3,4)24(31)13-15-28(23,6)21(22)12-16-30(29,8)25(20)27/h12,19-20,22-25,31H,9-11,13-18H2,1-8H3/t20-,22+,23-,24-,25-,27-,28+,29-,30+/m0/s1
InChI Key:
CKZZSGVKALKKLD-LGVZCQMJSA-N
SMILES:
CC([C@@H]1CC[C@@]2([C@H]1[C@@]1(C)CC=C3[C@H]([C@@]1(CC2)C)CC[C@@H]1[C@]3(C)CC[C@@H](C1(C)C)O)C)C
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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