2H-Pyran-2-acetic acid, tetrahydro-2-hydroxy-4-methoxy-6-[(1S)-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,2S,3R,4S,5R,6S)-

CAS Registry Number®

68567-60-2
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CAS Name

2H-Pyran-2-acetic acid, tetrahydro-2-hydroxy-4-methoxy-6-[(1S)-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,2S,3R,4S,5R,6S)-

Molecular Formula

C44H76O14

Molecular Mass

829.07

Cite this Page

2H-Pyran-2-acetic acid, tetrahydro-2-hydroxy-4-methoxy-6-[(1S)-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,2S,3R,4S,5R,6S)-.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=68567-60-2 (retrieved 2024-05-16) (CAS RN: 68567-60-2).  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-SQGGLTFESA-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-[(1S)-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,2S,3R,4S,5R,6S)-
  • Lonomycin A, (3S)-
  • 1,6-Dioxaspiro[4.5]decane, lonomycin A deriv.
  • Lonomycin B
  • 2H-Pyran-2-acetic acid, tetrahydro-2-hydroxy-4-methoxy-6-[1-[9-methoxy-2,8-dimethyl-2-[octahydro-4′-methoxy-2,3′-dimethyl-5′-(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-, [2S-[2α,2(R*),3β,4α,5α,6α[R*[2R*[2R*,2′S*,3′R*,4′S*,5S*,5′S*(2R*,3R*,4R*,5S*,6R*)],5S*,7R*,8S*,9R*]]]]-

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