21-Hydroxyoligomycin A
[CAS# 102042-09-1]

Identification

• Name: 21-Hydroxyoligomycin A
• Synonyms: (4E,5'S,6S,6'S,7R,8S,10R,11R,12S,14R,15S,16R,18E,20E,22S,28S)-22-Ethyl-7,11,14,15,23-Pentahydroxy-6'-[(2R)-2-Hydroxypropyl]-5',6,8,10,12,14,15,16,28-Nonamethyl-Spiro[2,26-Dioxabicyclo[23.3.1]Nonacosa-4,18,20-Triene-27,2'-Tetrahydropyran]-3,9,13-Trione; (4E,5'S,6S,6'S,7R,8S,10R,11R,12S,14R,15S,16R,18E,20E,22S,28S)-22-Ethyl-7,11,14,15,23-Pentahydroxy-6'-[(2R)-2-Hydroxypropyl]-5',6,8,10,12,14,15,16,28-Nonamethylspiro[2,26-Dioxabicyclo[23.3.1]Nonacosa-4,18,20-Triene-27,2'-Tetrahydropyran]-3,9,13-Trione; (4E,5'S,6S,6'S,7R,8S,10R,11R,12S,14R,15S,16R,18E,20E,22S,28S)-22-Ethyl-7,11,14,15,23-Pentahydroxy-6'-[(2R)-2-Hydroxypropyl]-5',6,8,10,12,14,15,16,28-Nonamethyl-Spiro[2,26-Dioxabicyclo[23.3.1]Nonacosa-4,18,20-Triene-27,2'-Oxane]-3,9,13-Trione
• Molecular Formula: C₄₅H₇₄O₁₂
• Molecular Weight: 807.07
• CAS Registry Number: 102042-09-1
• SMILES: [C@H]1(C3(OC2CC1OC(=O)\C=C\[C@@H]([C@@H](O)[C@@H](C(=O)[C@@H]([C@@H](O)[C@@H](C(=O)[C@](O)([C@@](O)([C@@H](C\C=C\C=C\[C@@H](C(O)C2)CC)C)C)C)C)C)C)C)O[C@H]([C@H](CC3)C)C[C@H](O)C)C
• InChI: 1S/C45H74O12/c1-12-33-17-15-13-14-16-27(4)43(10,53)44(11,54)42(52)31(8)41(51)30(7)40(50)29(6)39(49)26(3)18-19-38(48)55-37-24-34(23-35(33)47)56-45(32(37)9)21-20-25(2)36(57-45)22-28(5)46/h13-15,17-19,25-37,39,41,46-47,49,51,53-54H,12,16,20-24H2,1-11H3/b14-13+,17-15+,19-18+/t25-,26-,27+,28+,29-,30-,31-,32-,33-,34?,35?,36-,37?,39+,41+,43-,44-,45?/m0/s1
• InChIKey: PIKJILHUPCWBCA-NMZLQNICSA-N