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127650-85-5 | 2H-Pyran, 2-[[(3β,5α)-cholesta-20,24-dien-3-yl]oxy]tetrahydro- (9CI)
CAS No: 127650-85-5 Catalog No: AG000X8P MDL No:
Product Description
Catalog Number:
AG000X8P
Chemical Name:
2H-Pyran, 2-[[(3β,5α)-cholesta-20,24-dien-3-yl]oxy]tetrahydro- (9CI)
CAS Number:
127650-85-5
Molecular Formula:
C32H52O2
Molecular Weight:
468.7541
IUPAC Name:
2-[[(3S,5S,10S,13S,17R)-10,13-dimethyl-17-(6-methylhepta-1,5-dien-2-yl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]oxane
InChI:
InChI=1S/C32H52O2/c1-22(2)9-8-10-23(3)27-14-15-28-26-13-12-24-21-25(34-30-11-6-7-20-33-30)16-18-31(24,4)29(26)17-19-32(27,28)5/h9,24-30H,3,6-8,10-21H2,1-2,4-5H3/t24-,25-,26?,27+,28?,29?,30?,31-,32+/m0/s1
InChI Key:
NPWRWCGQPFJMES-LHMUKULBSA-N
SMILES:
CC(=CCCC(=C)[C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CC[C@@H]2[C@]1(C)CC[C@@H](C2)OC1CCCCO1)C
Properties
Complexity:
765
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
5
Defined Bond Stereocenter Count:
0
Exact Mass:
468.397g/mol
Formal Charge:
0
Heavy Atom Count:
34
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
468.766g/mol
Monoisotopic Mass:
468.397g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
18.5A^2
Undefined Atom Stereocenter Count:
4
Undefined Bond Stereocenter Count:
0
XLogP3:
10.1
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