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85754-70-7 | [1R,6R,(+)]-1α-[[(1S,4aS,8aS)-Decahydro-5,5,8a-trimethyl-2-methylenenaphthalene-1β-yl]methyl]-5β-hydroxy-4-(hydroxymethyl)-7-oxabicyclo[4.1.0]hepta-3-ene-2-one
CAS No: 85754-70-7 Catalog No: AG00GL4N MDL No:
Product Description
Catalog Number:
AG00GL4N
Chemical Name:
[1R,6R,(+)]-1α-[[(1S,4aS,8aS)-Decahydro-5,5,8a-trimethyl-2-methylenenaphthalene-1β-yl]methyl]-5β-hydroxy-4-(hydroxymethyl)-7-oxabicyclo[4.1.0]hepta-3-ene-2-one
CAS Number:
85754-70-7
IUPAC Name:
(1R,5R,6R)-1-[[(1S,4aS,8aS)-5,5,8a-trimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]methyl]-5-hydroxy-4-(hydroxymethyl)-7-oxabicyclo[4.1.0]hept-3-en-2-one
InChI:
InChI=1S/C22H32O4/c1-13-6-7-16-20(2,3)8-5-9-21(16,4)15(13)11-22-17(24)10-14(12-23)18(25)19(22)26-22/h10,15-16,18-19,23,25H,1,5-9,11-12H2,2-4H3/t15-,16-,18+,19+,21+,22-/m0/s1
InChI Key:
OOIYDCZXWGFDDL-VKUFQHAMSA-N
UNII:
SGH5AIR1V9
Properties
Complexity:
678
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
6
Defined Bond Stereocenter Count:
0
Exact Mass:
360.23g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
360.494g/mol
Monoisotopic Mass:
360.23g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
70.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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