(2R)-3-[(4S,6S,10S)-10-[(E,2R)-4-[(2S,2'R,4R,4aS,6R,8aR)-2-[(1S,3S)-3-[(6S,9R,10S)-9-methyl-5,11-dioxaspiro[5.5]undecan-10-yl]-1-oxidanyl-butyl]-3-methylidene-4-oxidanyl-spiro[4a,7,8,8a-tetrahydro-4H-pyrano[3,2-b]pyran-6,5'-oxolane]-2'-yl]but-3-en-2-yl]-8-methyl-5,11-dioxaspiro[5.5]undec-7-en-4-yl]-2-methyl-2-oxidanyl-propanoic acid

Systemtic Name: (2R)-3-[(4S,6S,10S)-10-[(E,2R)-4-[(2S,2'R,4R,4aS,6R,8aR)-2-[(1S,3S)-3-[(6S,9R,10S)-9-methyl-5,11-dioxaspiro[5.5]undecan-10-yl]-1-oxidanyl-butyl]-3-methylidene-4-oxidanyl-spiro[4a,7,8,8a-tetrahydro-4H-pyrano[3,2-b]pyran-6,5'-oxolane]-2'-yl]but-3-en-2-yl]-8-methyl-5,11-dioxaspiro[5.5]undec-7-en-4-yl]-2-methyl-2-oxidanyl-propanoic acid Openeye Name: (2R)-3-[(4S,6S,10S)-10-[(E,1R)-3-[(2S,2'R,4R,4aS,6R,8aR)-4-hydroxy-2-[(1S,3S)-1-hydroxy-3-[(6S,9R,10S)-9-methyl-5,11-dioxaspiro[5.5]undecan-10-yl]butyl]-3-methylene-spiro[4a,7,8,8a-tetrahydro-4H-pyrano[3,2-b]pyran-6,5'-tetrahydrofuran]-2'-yl]-1-methyl-allyl]-8-methyl-5,11-dioxaspiro[5.5]undec-7-en-4-yl]-2-hydroxy-2-methyl-propanoic acid CAS Name: (2R)-3-[(4S,6S,10S)-10-[(E,2R)-4-[(2S,2'R,4R,4aS,6R,8aR)-4-hydroxy-2-[(1S,3S)-1-hydroxy-3-[(6S,9R,10S)-9-methyl-5,11-dioxaspiro[5.5]undecan-10-yl]butyl]-3-methylene-2'-spiro[4a,7,8,8a-tetrahydro-4H-pyrano[3,2-b]pyran-6,5'-oxolane]yl]but-3-en-2-yl]-8-methyl-5,11-dioxaspiro[5.5]undec-7-en-4-yl]-2-hydroxy-2-methylpropanoic acid IUPAC Name: (2R)-3-[(4S,6S,10S)-10-[(E,2R)-4-[(2S,2'R,4R,4aS,6R,8aR)-4-hydroxy-2-[(1S,3S)-1-hydroxy-3-[(6S,9R,10S)-9-methyl-5,11-dioxaspiro[5.5]undecan-10-yl]butyl]-3-methylidenespiro[4a,7,8,8a-tetrahydro-4H-pyrano[3,2-b]pyran-6,5'-oxolane]-2'-yl]but-3-en-2-yl]-8-methyl-5,11-dioxaspiro[5.5]undec-7-en-4-yl]-2-hydroxy-2-methylpropanoic acid Traditional Name: (2R)-3-[(4S,6S,10S)-10-[(E,1R)-3-[(2S,2'R,4R,4aS,6R,8aR)-4-hydroxy-2-[(1S,3S)-1-hydroxy-3-[(6S,9R,10S)-9-methyl-5,11-dioxaspiro[5.5]undecan-10-yl]butyl]-3-methylene-spiro[4a,7,8,8a-tetrahydro-4H-pyrano[3,2-b]pyran-6,5'-tetrahydrofuran]-2'-yl]-1-methyl-allyl]-8-methyl-5,11-dioxaspiro[5.5]undec-7-en-4-yl]-2-hydroxy-2-methyl-propionic acid Formula: C44H68O12 MolecularWeight: 789.00352

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2(CCCCO2)OC1C(C)CC(C3C(=C)C(C4C(O3)CCC5(O4)CCC(O5)C=CC(C)C6CC(=CC7(O6)CCCC(O7)CC(C)(C(=O)O)O)C)O)O

Isomeric SMILES

C[C@@H]1CC[C@]2(CCCCO2)O[C@@H]1[C@@H](C)C[C@@H]([C@@H]3C(=C)[C@H]([C@H]4[C@H](O3)CC[C@]5(O4)CC[C@@H](O5)/C=C/[C@@H](C)[C@@H]6CC(=C[C@@]7(O6)CCC[C@H](O7)C[C@](C)(C(=O)O)O)C)O)O

InChI

InChI=1S/C44H68O12/c1-26-22-35(54-44(24-26)17-9-10-32(53-44)25-41(6,49)40(47)48)27(2)11-12-31-14-19-43(52-31)20-15-34-39(56-43)36(46)30(5)38(51-34)33(45)23-29(4)37-28(3)13-18-42(55-37)16-7-8-21-50-42/h11-12,24,27-29,31-39,45-46,49H,5,7-10,13-23,25H2,1-4,6H3,(H,47,48)/b12-11+/t27-,28-,29+,31+,32+,33+,34-,35+,36-,37+,38+,39-,41-,42+,43-,44+/m1/s1