sodium (1S,2'S,5aR,7aR,8R,9S,11aR,11bR)-1-acetyloxy-9-[(S)-furan-3-yl(oxidanyl)methyl]-5,5,7a,9,11b-pentamethyl-3,7-bis(oxidanylidene)spiro[2,5a,6,10,11,11a-hexahydro-1H-naphtho[2,1-c]oxepine-8,3'-oxirane]-2'-carboxylate

Systemtic Name: sodium (1S,2'S,5aR,7aR,8R,9S,11aR,11bR)-1-acetyloxy-9-[(S)-furan-3-yl(oxidanyl)methyl]-5,5,7a,9,11b-pentamethyl-3,7-bis(oxidanylidene)spiro[2,5a,6,10,11,11a-hexahydro-1H-naphtho[2,1-c]oxepine-8,3'-oxirane]-2'-carboxylate Openeye Name: sodium (1S,2'S,5aR,7aR,8R,9S,11aR,11bR)-1-acetoxy-9-[(S)-3-furyl(hydroxy)methyl]-5,5,7a,9,11b-pentamethyl-3,7-dioxo-spiro[2,5a,6,10,11,11a-hexahydro-1H-naphtho[2,1-c]oxepine-8,3'-oxirane]-2'-carboxylate CAS Name: sodium (1S,2'S,5aR,7aR,8R,9S,11aR,11bR)-1-acetyloxy-9-[(S)-3-furanyl(hydroxy)methyl]-5,5,7a,9,11b-pentamethyl-3,7-dioxo-2'-spiro[2,5a,6,10,11,11a-hexahydro-1H-naphtho[2,1-c]oxepin-8,3'-oxirane]carboxylate IUPAC Name: sodium (1S,2'S,5aR,7aR,8R,9S,11aR,11bR)-1-acetyloxy-9-[(S)-furan-3-yl(hydroxy)methyl]-5,5,7a,9,11b-pentamethyl-3,7-dioxospiro[2,5a,6,10,11,11a-hexahydro-1H-naphtho[2,1-c]oxepine-8,3'-oxirane]-2'-carboxylate Traditional Name: sodium (1S,2'S,5aR,7aR,8R,9S,11aR,11bR)-1-acetoxy-9-[(S)-3-furyl(hydroxy)methyl]-3,7-diketo-5,5,7a,9,11b-pentamethyl-spiro[2,5a,6,10,11,11a-hexahydro-1H-naphtho[2,1-c]oxepin-8,3'-oxirane]-2'-carboxylate Formula: C28H35NaO10 MolecularWeight: 554.56127

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1CC(=O)OC(C2C1(C3CCC(C4(C3(C(=O)C2)C)C(O4)C(=O)[O-])(C)C(C5=COC=C5)O)C)(C)C.[Na+]

Isomeric SMILES

CC(=O)O[C@H]1CC(=O)OC([C@H]2[C@]1([C@H]3CC[C@@]([C@@]4([C@@]3(C(=O)C2)C)[C@H](O4)C(=O)[O-])(C)[C@H](C5=COC=C5)O)C)(C)C.[Na+]

InChI

InChI=1S/C28H36O10.Na/c1-14(29)36-19-12-20(31)37-24(2,3)17-11-18(30)27(6)16(26(17,19)5)7-9-25(4,21(32)15-8-10-35-13-15)28(27)22(38-28)23(33)34;/h8,10,13,16-17,19,21-22,32H,7,9,11-12H2,1-6H3,(H,33,34);/q;+1/p-1/t16-,17+,19+,21+,22-,25+,26-,27+,28-;/m1./s1