Vouacapan

(4aS,5R,6R,6aR,7S,11aS,11bR)-5,6-dihydroxy-4,4,11b-trimethyl-1,2,3,4a,5,6,6a,7,11,11a-decahydronaphtho[2,1-f][1]benzofuran-7-carboxylic acid

Also Known As: Vouacapan|Sodium chromone-2-carbohydroxamae|6-alpha-7beta-Dihydroxyvouacapan-17-beta-oate|KST-1A5496|KST-1A5497|6alpha,7beta-dihydroxyvouacapan-17beta-oic acid|L-Alaninamide,N-acetyl-L-alanyl-L-alanyl-N-(4-nitrophenyl)|(4as,5r,6r,6ar,7s,11as,11br)-5,6-dihydroxy-4,4,11b-trimethyl-1,2,3,4,4a,5,6,6a,7,11,11a,11b-dodecahydrophenanthro[3,2-b]furan-7-carboxylic acid|(4aS,5R,6R,6aR,7S,11aS,11bR)-5,6-dihydroxy-4,4,11b-trimethyl-1,2,3,4a,5,6,6a,7,11,11a-decahydronaphtho[2,1-f][1]benzofuran-7-carboxylic acid|4H-1-Benzopyran-2-carboxamide, N-hydroxy-4-oxo-, sodium salt (1:1)|Phenanthro(3,2-b)furan-7-carboxylic acid, 1,2,3,4,4a,5,6,6a,7,11,11a,11b-dodecahydro-5,6-dihydroxy-4,4,11b-trimethyl-, (4aS-(4aalpha,5alpha,6beta,6abeta,7beta,11aalpha,11bbeta))-|(4aS)-1,2,3,4,4abeta,5,6,6aalpha,7,11,11abeta,11b-Dodecahydro-5beta,6alpha-dihydroxy-4,4,11balpha-trimethylphenanthro[3,2-b]furan-7alpha-carboxylic acid|(4aS)-4,4,11balpha-Trimethyl-5beta,6alpha-dihydroxy-1,2,3,4,4abeta,5,6,6aalpha,7,11,11abeta,11b-dodecahydrophenanthro[3,2-b]furan-7alpha-carboxylic acid|(4aS,5R,6R,6aR,7S,11aS,11bR)-1,2,3,4,4a,5,6,6a,7,11,11a,11b-Dodecahydro-5,6-dihydroxy-4,4,11b-trimethylphenanthro(3,2-b)furan-7-carboxylic acid|(4aS,5R,6R,6aR,7S,11aS,11bR)-5,6-dihydroxy-4,4,11b-trimethyl-1,2,3,4a,5,6,6a,7,11,11a-decahydronaphtho(2,1-f)(1)benzofuran-7-carboxylic acid|(4aS,5R,6R,6aR,7S,11aS,11bR)-5,6-dihydroxy-4,4,11b-trimethyl-1H,2H,3H,4H,4aH,5H,6H,6aH,7H,11H,11aH,11bH-phenanthro[3,2-b]furan-7-carboxylic acid|(5R,6R,7S,11bR)-5,6-Dihydroxy-4,4,11b-trimethyl-1,2,3,4,4a,5,6,6a,7,11,11a,11b-dodecahydro-10-oxa-cyclopenta[b]phenanthrene-7-carboxylic acid|5,6-Dihydroxy-4,4,11b-trimethyl-1,2,3,4,4a,5,6,6a,7,11,11a,11b-dodecahydrophenanthro[3,2-b]furan-7-carboxylic acid

Molecular Formula	C20H28O5
Molecular Weight	348.19366 g/mol
LogP	3.1
Topological Polar Surface Area	90.9 Ų
Hydrogen Bond Donors	3
Hydrogen Bond Acceptors	5
Rotatable Bonds	1
Exact Mass	348.19366
Monoisotopic Mass	348.19366
Heavy Atoms	25
Complexity	560.0

Chemical Identifiers

CAS Number	5349-85-9
SMILES	C[C@]12CCCC([C@@H]1[C@H]([C@@H]([C@@H]3[C@@H]2CC4=C([C@H]3C(=O)O)C=CO4)O)O)(C)C
InChIKey	GHQBUKANOGSFQS-WENPLGDPSA-N