Nymania 1

[(3S,3aR,4R,5R,6R,7aS)-6-[(1S,2R,3R,4S,6S)-4-acetyloxy-6-hydroxy-2-(2-methoxy-2-oxoethyl)-1,3-dimethyl-7,9-dioxabicyclo[4.2.1]nonan-3-yl]-5-formyloxy-3-(furan-3-yl)-7a-hydroxy-3a-methyl-7-methylidene-1-oxo-3,4,5,6-tetrahydro-2H-inden-4-yl] (2R,3R)-2-hydroxy-3-methylpentanoate

Also Known As: Nymania 1|Drageana 4|7,9-Dioxabicyclo(4.2.1)nonane-2-acetic acid, 4-(acetyloxy)-3-(6-(formyloxy)-1-(3-furanyl)octahydro-3a-hydroxy-7-((2-hydroxy-3-methyl-1-oxopentyl)oxy)-7a-methyl-4-methylene-3-oxo-1H-inden-5-yl)-6-hydroxy-1,3-dimethyl-, methyl ester, (1S-(1alpha,3abeta,5beta(1R*,2S*,3S*,4R*,6R*),6beta,7alpha(2S*,3S*),7aalpha))-|((3S,3aR,4R,5R,6R,7aS)-6-((1S,2R,3R,4S,6S)-4-acetyloxy-6-hydroxy-2-(2-methoxy-2-oxoethyl)-1,3-dimethyl-7,9-dioxabicyclo(4.2.1)nonan-3-yl)-5-formyloxy-3-(furan-3-yl)-7a-hydroxy-3a-methyl-7-methylidene-1-oxo-3,4,5,6-tetrahydro-2H-inden-4-yl) (2R,3R)-2-hydroxy-3-methylpentanoate|[(3S,3aR,4R,5R,6R,7aS)-6-[(1S,2R,3R,4S,6S)-4-acetyloxy-6-hydroxy-2-(2-methoxy-2-oxoethyl)-1,3-dimethyl-7,9-dioxabicyclo[4.2.1]nonan-3-yl]-5-formyloxy-3-(furan-3-yl)-7a-hydroxy-3a-methyl-7-methylidene-1-oxo-3,4,5,6-tetrahydro-2H-inden-4-yl] (2R,3R)-2-hydroxy-3-methylpentanoate

Molecular Formula	C36H48O15
Molecular Weight	720.2993 g/mol
LogP	1.6
Topological Polar Surface Area	215.0 Ų
Hydrogen Bond Donors	3
Hydrogen Bond Acceptors	15
Rotatable Bonds	14
Exact Mass	720.2993
Monoisotopic Mass	720.2993
Heavy Atoms	51
Complexity	1430.0

Chemical Identifiers

CAS Number	84765-63-9
SMILES	CC[C@@H](C)[C@H](C(=O)O[C@H]1[C@@H]([C@@H](C(=C)[C@@]2([C@@]1([C@@H](CC2=O)C3=COC=C3)C)O)[C@]4([C@H](C[C@@]5(OC[C@]([C@@H]4CC(=O)OC)(O5)C)O)OC(=O)C)C)OC=O)O
InChIKey	RUXXAXGHFLRXRB-DRISLEFDSA-N