Tautomycin

CAS Registry Number®

109946-35-2
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CAS Name

Tautomycin

Molecular Formula

C41H66O13

Molecular Mass

766.95

Cite this Page

Tautomycin.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=109946-35-2 (retrieved 2024-03-29) (CAS RN: 109946-35-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C41H66O13/c1-21(2)36(51-34(47)20-31(45)35-27(8)39(48)52-40(35)49)38(50-10)32(46)19-30(44)26(7)29(43)13-11-24(5)37-25(6)16-18-41(54-37)17-15-23(4)33(53-41)14-12-22(3)28(9)42/h21-26,29,31-33,36-38,43,45-46H,11-20H2,1-10H3/t22-,23+,24+,25-,26-,29-,31+,32+,33-,36+,37-,38-,41+/m0/s1

InChIKey

InChIKey=RFCWHQNNCOJYTR-QKIDKDKQSA-N

SMILES

[C@H](CC[C@@H]([C@@H](C(C[C@H]([C@@H]([C@H](OC(C[C@@H](O)C1=C(C)C(=O)OC1=O)=O)C(C)C)OC)O)=O)C)O)(C)[C@@]2(O[C@@]3(O[C@@H](CC[C@@H](C(C)=O)C)[C@H](C)CC3)CC[C@@H]2C)[H]

Canonical SMILES

O=C1OC(=O)C(=C1C)C(O)CC(=O)OC(C(OC)C(O)CC(=O)C(C)C(O)CCC(C)C2OC3(OC(CCC(C(=O)C)C)C(C)CC3)CCC2C)C(C)C

Other Names for this Substance

  • 3-Furanpropanoic acid, 2,5-dihydro-β-hydroxy-4-methyl-2,5-dioxo-, (1R,2S,3R,6S,7S,10R)-10-[(2S,3S,6R,8S,9R)-3,9-dimethyl-8-[(3S)-3-methyl-4-oxopentyl]-1,7-dioxaspiro[5.5]undec-2-yl]-3,7-dihydroxy-2-methoxy-6-methyl-1-(1-methylethyl)-5-oxoundecyl ester, (βR)-
  • 3-Furanpropanoic acid, 2,5-dihydro-β-hydroxy-4-methyl-2,5-dioxo-, 10-[3,9-dimethyl-8-(3-methyl-4-oxopentyl)-1,7-dioxaspiro[5.5]undec-2-yl]-3,7-dihydroxy-2-methoxy-6-methyl-1-(1-methylethyl)-5-oxoundecyl ester, [2S-[2α[1S*(S*),2R*,3S*,6R*,7R*,10S*],3α,6β[8R*(R*),9S*]]]-
  • Tautomycin

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