CID6442985 structure

CID6442985

[(2S,8S,9S,10R,11R)-10-hydroxy-2,11-dimethyl-7-methylidene-6,12-dioxo-5,14-dioxatricyclo[9.2.1.04,8]tetradec-1(13)-en-9-yl] (E)-2-methylbut-2-enoate

Also Known As: 2-Butenoic acid, 2-methyl-, 2,3,3a,4,5,6,7,10,11,11a-decahydro-5-hydroxy- 6,10-dimethyl-3-methylene-2,7-dioxo-6,9-epoxycyclodeca(b)furan-4-yl ester, (3aS-(3aR*,4R*(Z),5S*,6S*,10S*,10aR*))|2-Butenoic acid, 2-methyl-, 2,3,3a,4,5,6,7,10,11,11a-decahydro-5-hydroxy-6,10-dimethyl-3-methylene-2,7-dioxo-6,9-epoxycyclodeca(b)furan-4-yl ester, (3aS-(3aR*,4R*(Z),5S*,6S*,10S*,10aR*))

CAS: 92008-84-9
Molecular Formula C20H24O7
Molecular Weight 376.1522 g/mol
LogP 1.6048
Topological Polar Surface Area 99.13 Ų
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 7
Rotatable Bonds 2
Exact Mass 376.1522
Monoisotopic Mass 376.1522
Heavy Atoms 27
Complexity 777.1997

Chemical Identifiers

CAS Number 92008-84-9
SMILES C/C=C(\C)/C(=O)O[C@H]1[C@@H]2C(C[C@@H](C3=CC(=O)[C@@]([C@@H]1O)(O3)C)C)OC(=O)C2=C

Product Overview

CID6442985 (CAS 92008-84-9), with molecular formula C20H24O7 and molecular weight 376.1522 g/mol. IUPAC: [(2S,8S,9S,10R,11R)-10-hydroxy-2,11-dimethyl-7-methylidene-6,12-dioxo-5,14-dioxatricyclo[9.2.1.04,8]tetradec-1(13)-en-9-yl] (E)-2-methylbut-2-enoate.

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