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100785-98-6 | 2H-1-Benzopyran-2-one, 7-[[(1R,4aS,6R,8aS)-decahydro-6-hydroxy-5,5,8a-trimethyl-2-methylene-1-naphthalenyl]methyl]-
CAS No: 100785-98-6 Catalog No: AG0002W2 MDL No:
Product Description
Catalog Number:
AG0002W2
Chemical Name:
2H-1-Benzopyran-2-one, 7-[[(1R,4aS,6R,8aS)-decahydro-6-hydroxy-5,5,8a-trimethyl-2-methylene-1-naphthalenyl]methyl]-
CAS Number:
100785-98-6
Molecular Formula:
C24H30O3
Molecular Weight:
366.4932
IUPAC Name:
7-[[(4aS)-6-hydroxy-5,5,8a-trimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]methoxy]chromen-2-one
InChI:
InChI=1S/C24H30O4/c1-15-5-9-20-23(2,3)21(25)11-12-24(20,4)18(15)14-27-17-8-6-16-7-10-22(26)28-19(16)13-17/h6-8,10,13,18,20-21,25H,1,5,9,11-12,14H2,2-4H3/t18?,20-,21?,24?/m1/s1
InChI Key:
FCWYNTDTQPCVPG-SMVUYSJCSA-N
SMILES:
C=C1CC[C@H]2[C@@]([C@@H]1Cc1ccc3c(c1)oc(=O)cc3)(C)CC[C@H](C2(C)C)O
NSC Number:
655152
Properties
Complexity:
666
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
382.214g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
382.5g/mol
Monoisotopic Mass:
382.214g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
55.8A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
4.9
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