(2'R,3S,4S,4aR,7R,8R,8aR)-8-(1-acetyloxy-3-methoxy-3-oxidanylidene-propyl)-3-[(S)-furan-3-yl-[(2R,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-methyl]-3,4a,8-trimethyl-5-oxidanylidene-7-(2-oxidanylpropan-2-yl)spiro[2,6,7,8a-tetrahydro-1H-naphthalene-4,3'-oxirane]-2'-carboxylic acid

Systemtic Name: (2'R,3S,4S,4aR,7R,8R,8aR)-8-(1-acetyloxy-3-methoxy-3-oxidanylidene-propyl)-3-[(S)-furan-3-yl-[(2R,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-methyl]-3,4a,8-trimethyl-5-oxidanylidene-7-(2-oxidanylpropan-2-yl)spiro[2,6,7,8a-tetrahydro-1H-naphthalene-4,3'-oxirane]-2'-carboxylic acid Openeye Name: (1S,2S,2'R,4aR,5R,6R,8aR)-5-(1-acetoxy-3-methoxy-3-oxo-propyl)-2-[(S)-3-furyl-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-methyl]-6-(1-hydroxy-1-methyl-ethyl)-2,5,8a-trimethyl-8-oxo-spiro[decalin-1,3'-oxirane]-2'-carboxylic acid CAS Name: (2'R,3S,4S,4aR,7R,8R,8aR)-8-(1-acetyloxy-3-methoxy-3-oxopropyl)-3-[(S)-3-furanyl-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]methyl]-7-(2-hydroxypropan-2-yl)-3,4a,8-trimethyl-5-oxo-2'-spiro[2,6,7,8a-tetrahydro-1H-naphthalene-4,3'-oxirane]carboxylic acid IUPAC Name: (2'R,3S,4S,4aR,7R,8R,8aR)-8-(1-acetyloxy-3-methoxy-3-oxopropyl)-3-[(S)-furan-3-yl-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-7-(2-hydroxypropan-2-yl)-3,4a,8-trimethyl-5-oxospiro[2,6,7,8a-tetrahydro-1H-naphthalene-4,3'-oxirane]-2'-carboxylic acid Traditional Name: (1S,2S,2'R,4aR,5R,6R,8aR)-5-(1-acetoxy-3-keto-3-methoxy-propyl)-2-[(S)-3-furyl-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-methyl]-6-(1-hydroxy-1-methyl-ethyl)-8-keto-2,5,8a-trimethyl-spiro[decalin-1,3'-oxirane]-2'-carboxylic acid Formula: C35H50O16 MolecularWeight: 726.7619

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC(CC(=O)OC)C1(C2CCC(C3(C2(C(=O)CC1C(C)(C)O)C)C(O3)C(=O)O)(C)C(C4=COC=C4)OC5C(C(C(C(O5)CO)O)O)O)C

Isomeric SMILES

CC(=O)OC(CC(=O)OC)[C@@]1([C@H]2CC[C@@]([C@]3([C@@]2(C(=O)C[C@H]1C(C)(C)O)C)[C@@H](O3)C(=O)O)(C)[C@H](C4=COC=C4)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)C

InChI

InChI=1S/C35H50O16/c1-16(37)48-22(13-23(39)46-7)33(5)19-8-10-32(4,35(28(51-35)29(43)44)34(19,6)21(38)12-20(33)31(2,3)45)27(17-9-11-47-15-17)50-30-26(42)25(41)24(40)18(14-36)49-30/h9,11,15,18-20,22,24-28,30,36,40-42,45H,8,10,12-14H2,1-7H3,(H,43,44)/t18-,19-,20+,22?,24-,25+,26-,27+,28+,30+,32+,33-,34+,35+/m1/s1