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160242-09-1 | 2(5H)-Furanone, 3-[(2R)-2-[(1R,4aS,5R,6R,8aR)-decahydro-6-hydroxy-5-(hydroxymethyl)-5,8a-dimethyl-2-methylene-1-naphthalenyl]-2-hydroxyethyl]-
CAS No: 160242-09-1 Catalog No: AG001RS9 MDL No:MFCD22417322
Product Description
Catalog Number:
AG001RS9
Chemical Name:
2(5H)-Furanone, 3-[(2R)-2-[(1R,4aS,5R,6R,8aR)-decahydro-6-hydroxy-5-(hydroxymethyl)-5,8a-dimethyl-2-methylene-1-naphthalenyl]-2-hydroxyethyl]-
CAS Number:
160242-09-1
Molecular Formula:
C20H30O5
Molecular Weight:
350.4492
MDL Number:
MFCD22417322
IUPAC Name:
4-[(2R)-2-[(1R,4aS,5R,6R,8aR)-6-hydroxy-5-(hydroxymethyl)-5,8a-dimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]-2-hydroxyethyl]-2H-furan-5-one
InChI:
InChI=1S/C20H30O5/c1-12-4-5-15-19(2,8-6-16(23)20(15,3)11-21)17(12)14(22)10-13-7-9-25-18(13)24/h7,14-17,21-23H,1,4-6,8-11H2,2-3H3/t14-,15+,16-,17+,19-,20+/m1/s1
InChI Key:
BNLCOXWUZAOLDT-JLEOBMEESA-N
SMILES:
OC[C@]1(C)[C@H](O)CC[C@@]2([C@@H]1CCC(=C)[C@H]2[C@@H](CC1=CCOC1=O)O)C
Properties
Complexity:
597
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
6
Defined Bond Stereocenter Count:
0
Exact Mass:
350.209g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
350.455g/mol
Monoisotopic Mass:
350.209g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
87A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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