Nimbidic acid

2-[(1R,2S,4R,6R,9R,10R,11R,12S,14R,15R,18R)-6-(furan-3-yl)-12,14-dihydroxy-7,9,11,15-tetramethyl-3,17-dioxapentacyclo[9.6.1.02,9.04,8.015,18]octadec-7-en-10-yl]acetic acid

Also Known As: Salannic acid|Nimbidic acid|Salannate|KST-1A4091|J3.359.305H|[(2ar,3r,5s,5ar,6r,6ar,8r,9ar,10as,10br,10cr)-8-(furan-3-yl)-3,5-dihydroxy-2a,5a,6a,7-tetramethyl-2a,4,5,5a,6,6a,8,9,9a,10a,10b,10c-dodecahydro-2h,3h-cyclopenta[d]naphtho[2,3-b:1,8-b'c']difuran-6-yl]acetic acid|2H,3H-Cyclopenta(d')naphtho(1,8-bc:2,3-b')difuran-6-acetic acid, 8-(3-furanyl)-2a,4,5,5a,6,6a,8,9,9a,10a,10b,10c-dodecahydro-3,5-dihydroxy-2a,5a,6a,7-tetramethyl-,(2aR,3R,5S,5aR,6R,6aR,8R,9aR,10aS,10bR,10cR)-|(2aR)-8alpha-(3-Furanyl)-2a,4,5,5a,6,6a,8,9,9aalpha,10abeta,10bbeta,10calpha-dodecahydro-3alpha,5alpha-dihydroxy-2abeta,5abeta,6abeta,7-tetramethyl-2H,3H-cyclopenta[d ]naphtho[1,8-bc:2,3-b ]difuran-6beta-acetic acid|[8-(Furan-3-yl)-3,5-dihydroxy-2a,5a,6a,7-tetramethyl-2a,4,5,5a,6,6a,8,9,9a,10a,10b,10c-dodecahydro-2H,3H-cyclopenta[d]naphtho[2,3-b:1,8-b'c']difuran-6-yl]acetic acid|2-[(1R,2S,4R,6R,9R,10R,11R,12S,14R,15R,18R)-6-(furan-3-yl)-12,14-dihydroxy-7,9,11,15-tetramethyl-3,17-dioxapentacyclo[9.6.1.02,9.04,8.015,18]octadec-7-en-10-yl]acetic acid|2H,3H-Cyclopenta[d']naphtho[1,8-bc:2,3-b']difuran-6-aceticacid,8-(3-furanyl)-2a,4,5,5a,6,6a,8,9,9a,10a,10b,10c-dodecahydro-3,5-dihydroxy-2a,5a,6a,7-tetramethyl-,(2aR,3R,5S,5aR,6R,6aR,8R,9aR,10aS,10bR,10cR)- (9CI)

Molecular Formula	C26H34O7
Molecular Weight	458.23044 g/mol
LogP	1.3
Topological Polar Surface Area	109.0 Ų
Hydrogen Bond Donors	3
Hydrogen Bond Acceptors	7
Rotatable Bonds	3
Exact Mass	458.23044
Monoisotopic Mass	458.23044
Heavy Atoms	33
Complexity	901.0

Chemical Identifiers

CAS Number	3510-48-3
SMILES	CC1=C2[C@@H](C[C@H]1C3=COC=C3)O[C@H]4[C@@]2([C@@H]([C@]5([C@H](C[C@H]([C@@]6([C@@H]5[C@H]4OC6)C)O)O)C)CC(=O)O)C
InChIKey	QMEMRUDWBPMCGJ-SRSHEJQUSA-N