(1R,4R,5E,5'R,6'R,7E,10R,11S,12S,14S,15S,16R,18S,19R,20R,21E,25R,27S,29S)-4-ethyl-5',10,12,14,16,18,20,29-octamethyl-11,12,15,19-tetrakis(oxidanyl)-6'-[(2S)-2-oxidanylpropyl]spiro[24,28-dioxabicyclo[23.3.1]nonacosa-5,7,21-triene-27,2'-oxane]-13,17,23-trione

Systemtic Name: (1R,4R,5E,5'R,6'R,7E,10R,11S,12S,14S,15S,16R,18S,19R,20R,21E,25R,27S,29S)-4-ethyl-5',10,12,14,16,18,20,29-octamethyl-11,12,15,19-tetrakis(oxidanyl)-6'-[(2S)-2-oxidanylpropyl]spiro[24,28-dioxabicyclo[23.3.1]nonacosa-5,7,21-triene-27,2'-oxane]-13,17,23-trione Openeye Name: (1R,4R,5E,5'R,6'R,7E,10R,11S,12S,14S,15S,16R,18S,19R,20R,21E,25R,27S,29S)-4-ethyl-11,12,15,19-tetrahydroxy-6'-[(2S)-2-hydroxypropyl]-5',10,12,14,16,18,20,29-octamethyl-spiro[24,28-dioxabicyclo[23.3.1]nonacosa-5,7,21-triene-27,2'-tetrahydropyran]-13,17,23-trione CAS Name: (1R,4R,5E,5'R,6'R,7E,10R,11S,12S,14S,15S,16R,18S,19R,20R,21E,25R,27S,29S)-4-ethyl-11,12,15,19-tetrahydroxy-6'-[(2S)-2-hydroxypropyl]-5',10,12,14,16,18,20,29-octamethylspiro[24,28-dioxabicyclo[23.3.1]nonacosa-5,7,21-triene-27,2'-oxane]-13,17,23-trione IUPAC Name: (1R,4R,5E,5'R,6'R,7E,10R,11S,12S,14S,15S,16R,18S,19R,20R,21E,25R,27S,29S)-4-ethyl-11,12,15,19-tetrahydroxy-6'-[(2S)-2-hydroxypropyl]-5',10,12,14,16,18,20,29-octamethylspiro[24,28-dioxabicyclo[23.3.1]nonacosa-5,7,21-triene-27,2'-oxane]-13,17,23-trione Traditional Name: (1R,4R,5E,5'R,6'R,7E,10R,11S,12S,14S,15S,16R,18S,19R,20R,21E,25R,27S,29S)-4-ethyl-11,12,15,19-tetrahydroxy-6'-[(2S)-2-hydroxypropyl]-5',10,12,14,16,18,20,29-octamethyl-spiro[24,28-dioxabicyclo[23.3.1]nonacosa-5,7,21-triene-27,2'-tetrahydropyran]-13,17,23-trione Formula: C44H72O11 MolecularWeight: 777.03588

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCC2C(C(CC3(O2)CCC(C(O3)CC(C)O)C)OC(=O)C=CC(C(C(C(=O)C(C(C(C(=O)C(C(C(CC=CC=C1)C)O)(C)O)C)O)C)C)O)C)C

Isomeric SMILES

CC[C@@H]\1CC[C@@H]2[C@@H]([C@@H](C[C@@]3(O2)CC[C@H]([C@H](O3)C[C@H](C)O)C)OC(=O)/C=C/[C@H]([C@H]([C@@H](C(=O)[C@@H]([C@@H]([C@@H](C(=O)[C@@]([C@H]([C@@H](C/C=C/C=C1)C)O)(C)O)C)O)C)C)O)C)C

InChI

InChI=1S/C44H72O11/c1-11-33-16-14-12-13-15-27(4)41(50)43(10,52)42(51)32(9)40(49)31(8)39(48)30(7)38(47)26(3)17-20-37(46)53-36-24-44(54-34(19-18-33)29(36)6)22-21-25(2)35(55-44)23-28(5)45/h12-14,16-17,20,25-36,38,40-41,45,47,49-50,52H,11,15,18-19,21-24H2,1-10H3/b13-12+,16-14+,20-17+/t25-,26-,27-,28+,29+,30+,31+,32+,33+,34-,35-,36-,38-,40+,41+,43+,44-/m1/s1