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79863-24-4 | Lapidine
CAS No: 79863-24-4 Catalog No: AG004ZEX MDL No:
Product Description
Catalog Number:
AG004ZEX
Chemical Name:
Lapidine
CAS Number:
79863-24-4
Molecular Formula:
C20H30O4
Molecular Weight:
334.4498
IUPAC Name:
[(3R,3aS,4S,8aS)-3-hydroxy-6,8a-dimethyl-8-oxo-3-propan-2-yl-2,3a,4,5-tetrahydro-1H-azulen-4-yl] (Z)-2-methylbut-2-enoate
InChI:
InChI=1S/C20H30O4/c1-7-14(5)18(22)24-15-10-13(4)11-16(21)19(6)8-9-20(23,12(2)3)17(15)19/h7,11-12,15,17,23H,8-10H2,1-6H3/b14-7-/t15-,17+,19+,20+/m0/s1
InChI Key:
YMWBTMBPEHUMBA-GULXXORSSA-N
SMILES:
C/C=C(\C(=O)O[C@H]1CC(=CC(=O)[C@@]2([C@@H]1[C@@](O)(CC2)C(C)C)C)C)/C
Properties
Complexity:
601
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
4
Defined Bond Stereocenter Count:
1
Exact Mass:
334.214g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
334.456g/mol
Monoisotopic Mass:
334.214g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
63.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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