(2'S,3S,4aR,7R,8R,8aR)-8-[(1R)-1-acetyloxy-3-oxidanyl-3-oxidanylidene-propyl]-3-[furan-3-yl-[(2R,3R,4S,5S,6S)-6-methoxy-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'S,3S,4aR,7R,8R,8aR)-8-[(1R)-1-acetyloxy-3-oxidanyl-3-oxidanylidene-propyl]-3-[furan-3-yl-[(2R,3R,4S,5S,6S)-6-methoxy-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: (2S,2'S,4aR,5R,6R,8aR)-5-[(1R)-1-acetoxy-3-hydroxy-3-oxo-propyl]-2-[3-furyl-[(2R,3R,4S,5S,6S)-3,4,5-trihydroxy-6-methoxy-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'S,3S,4aR,7R,8R,8aR)-8-[(1R)-1-acetyloxy-3-hydroxy-3-oxopropyl]-3-[3-furanyl-[[(2R,3R,4S,5S,6S)-3,4,5-trihydroxy-6-methoxy-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'S,3S,4aR,7R,8R,8aR)-8-[(1R)-1-acetyloxy-3-hydroxy-3-oxopropyl]-3-[furan-3-yl-[(2R,3R,4S,5S,6S)-3,4,5-trihydroxy-6-methoxyoxan-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: (2S,2'S,4aR,5R,6R,8aR)-5-[(1R)-1-acetoxy-3-hydroxy-3-keto-propyl]-2-[3-furyl-[(2R,3R,4S,5S,6S)-3,4,5-trihydroxy-6-methoxy-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: C34H48O16 MolecularWeight: 712.73532

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC(CC(=O)O)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)OC)O)O)O)C

Isomeric SMILES

CC(=O)O[C@H](CC(=O)O)[C@@]1([C@H]2CC[C@@](C3([C@@]2(C(=O)C[C@H]1C(C)(C)O)C)[C@H](O3)C(=O)O)(C)C(C4=COC=C4)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)OC)O)O)O)C

InChI

InChI=1S/C34H48O16/c1-15(35)47-20(13-21(37)38)32(5)17-8-10-31(4,34(26(50-34)27(42)43)33(17,6)19(36)12-18(32)30(2,3)44)25(16-9-11-46-14-16)48-29-24(41)22(39)23(40)28(45-7)49-29/h9,11,14,17-18,20,22-26,28-29,39-41,44H,8,10,12-13H2,1-7H3,(H,37,38)(H,42,43)/t17-,18+,20-,22+,23+,24-,25?,26-,28+,29-,31+,32-,33+,34?/m1/s1