Dihydrochaparrinone structure

Dihydrochaparrinone

(4S,5R,6R,7S,11R,13S,17S,18S,19S)-4,5,17-trihydroxy-6,14,18-trimethyl-2,10-dioxapentacyclo[9.8.0.01,7.04,19.013,18]nonadecane-9,16-dione

Also Known As: Dihydrochaparrinone|3,4-Dihydrochaparrinone|Picrasane-2,16-dione, 11,20-epoxy-1,11,12-trihydroxy-, (1-beta,4-xi,11-beta,12-alpha)-|(1S,2R,3R,3aS,6aR,7aS,11S,11aS,11bS)-1,2,11-Trihydroxy-3,8,11a-trimethyldecahydro-2H-11c,1-(epoxymethano)phenanthro[10,1-bc]pyran-5,10(3H,6aH)-dione|1,2,11-Trihydroxy-3,8,11a-trimethyldecahydro-2H-11c,1-(epoxymethano)phenanthro[10,1-bc]pyran-5,10(3H,6aH)-dione

CAS: 4547-22-2
Molecular Formula C20H28O7
Molecular Weight 380.1835 g/mol
LogP -0.2
Topological Polar Surface Area 113.0 Ų
Hydrogen Bond Donors 3
Hydrogen Bond Acceptors 7
Rotatable Bonds 0
Exact Mass 380.1835
Monoisotopic Mass 380.1835
Heavy Atoms 27
Complexity 723.0

Chemical Identifiers

CAS Number 4547-22-2
SMILES C[C@@H]1[C@@H]2CC(=O)O[C@H]3C24[C@@H]([C@@]5([C@@H](C3)C(CC(=O)[C@H]5O)C)C)[C@@]([C@@H]1O)(CO4)O
InChIKey ZCAKGRFWNGSWEO-MOCWUDHTSA-N

Product Overview

Dihydrochaparrinone (CAS 4547-22-2), with molecular formula C20H28O7 and molecular weight 380.1835 g/mol. IUPAC: (4S,5R,6R,7S,11R,13S,17S,18S,19S)-4,5,17-trihydroxy-6,14,18-trimethyl-2,10-dioxapentacyclo[9.8.0.01,7.04,19.013,18]nonadecane-9,16-dione.

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