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85764-11-0 | [1R,6R,(+)]-1α-[[(1S,4aR)-Decahydro-6β-hydroxy-5,5,8aβ-trimethyl-2-methylenenaphthalene-1β-yl]methyl]-5β-hydroxy-4-(hydroxymethyl)-7-oxabicyclo[4.1.0]hepta-3-ene-2-one
CAS No: 85764-11-0 Catalog No: AG00GL4Q MDL No:
Product Description
Catalog Number:
AG00GL4Q
Chemical Name:
[1R,6R,(+)]-1α-[[(1S,4aR)-Decahydro-6β-hydroxy-5,5,8aβ-trimethyl-2-methylenenaphthalene-1β-yl]methyl]-5β-hydroxy-4-(hydroxymethyl)-7-oxabicyclo[4.1.0]hepta-3-ene-2-one
CAS Number:
85764-11-0
IUPAC Name:
(1R,5R,6R)-1-[[(1S,4aR,6S,8aR)-6-hydroxy-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/C22H32O5/c1-12-5-6-15-20(2,3)16(24)7-8-21(15,4)14(12)10-22-17(25)9-13(11-23)18(26)19(22)27-22/h9,14-16,18-19,23-24,26H,1,5-8,10-11H2,2-4H3/t14-,15-,16-,18+,19+,21+,22-/m0/s1
InChI Key:
ZJIGIRXWBMNWPJ-PEPYYZTCSA-N
UNII:
6PI1M9UNTJ
Properties
Complexity:
710
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
7
Defined Bond Stereocenter Count:
0
Exact Mass:
376.225g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
376.493g/mol
Monoisotopic Mass:
376.225g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
90.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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