Lonomycin A

CAS Registry Number®

58785-63-0
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CAS Name

Lonomycin A

Molecular Formula

C44H76O14

Molecular Mass

829.07

Cite this Page

Lonomycin A.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=58785-63-0 (retrieved 2024-05-15) (CAS RN: 58785-63-0).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C44H76O14/c1-21-29(49-12)20-43(56-31(21)22(2)32-23(3)34(51-14)27(7)44(48,57-32)28(8)39(45)46)19-18-40(9,58-43)30-16-17-41(10,54-30)38-25(5)35(52-15)37(53-38)36-24(4)33(50-13)26(6)42(11,47)55-36/h21-38,47-48H,16-20H2,1-15H3,(H,45,46)/t21-,22-,23+,24+,25+,26-,27-,28-,29+,30-,31+,32-,33+,34+,35-,36+,37-,38-,40+,41+,42+,43-,44-/m1/s1

InChIKey

InChIKey=BKZOUCVNTCLNFF-IGXZVFLKSA-N

SMILES

C[C@@]1(O[C@]2(O[C@]([C@@H](C)[C@]3(O[C@]([C@@H](C(O)=O)C)(O)[C@H](C)[C@@H](OC)[C@H]3C)[H])([C@H](C)[C@@H](OC)C2)[H])CC1)[C@@]4(O[C@@](C)(CC4)[C@@]5(O[C@]([C@H](OC)[C@@H]5C)([C@@]6([C@@H](C)[C@H](OC)[C@@H](C)[C@@](C)(O)O6)[H])[H])[H])[H]

Canonical SMILES

O=C(O)C(C)C1(O)OC(C(C)C(OC)C1C)C(C)C2OC3(OC(C)(CC3)C4OC(C)(CC4)C5OC(C(OC)C5C)C6OC(O)(C)C(C)C(OC)C6C)CC(OC)C2C

Other Names for this Substance

  • 2H-Pyran-2-acetic acid, tetrahydro-2-hydroxy-4-methoxy-6-[(1R)-1-[(2S,5R,7S,8R,9S)-9-methoxy-2,8-dimethyl-2-[(2S,2′R,3′S,4′R,5R,5′R)-octahydro-4′-methoxy-2,3′-dimethyl-5′-[(2S,3S,4S,5R,6S)-tetrahydro-6-hydroxy-4-methoxy-3,5,6-trimethyl-2H-pyran-2-yl][2,2′-bifuran]-5-yl]-1,6-dioxaspiro[4.5]dec-7-yl]ethyl]-α,3,5-trimethyl-, (αS,2R,3R,4S,5R,6S)-
  • Lonomycin A
  • 1,6-Dioxaspiro[4.5]decane, lonomycin A deriv.
  • (αS,2R,3R,4S,5R,6S)-Tetrahydro-2-hydroxy-4-methoxy-6-[(1R)-1-[(2S,5R,7S,8R,9S)-9-methoxy-2,8-dimethyl-2-[(2S,2′R,3′S,4′R,5R,5′R)-octahydro-4′-methoxy-2,3′-dimethyl-5′-[(2S,3S,4S,5R,6S)-tetrahydro-6-hydroxy-4-methoxy-3,5,6-trimethyl-2H-pyran-2-yl][2,2′-bifuran]-5-yl]-1,6-dioxaspiro[4.5]dec-7-yl]ethyl]-α,3,5-trimethyl-2H-pyran-2-acetic acid
  • Emericid

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Deleted or Replaced CAS Registry Numbers

56832-67-8, 91196-09-7

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