Dianemycin

CAS Registry Number®

35865-33-9
No image available.

CAS Name

Dianemycin

Molecular Formula

C47H78O14

Molecular Mass

867.11

Cite this Page

Dianemycin.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=35865-33-9 (retrieved 2024-08-07) (CAS RN: 35865-33-9).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C47H78O14/c1-24(40(50)25(2)18-28(5)43(51)52)17-26(3)41-31(8)34(49)22-45(59-41)16-15-44(11,61-45)38-21-36(56-39-14-13-35(54-12)33(10)55-39)32(9)47(58-38)30(7)20-37(57-47)42-27(4)19-29(6)46(53,23-48)60-42/h17,25-39,41-42,48-49,53H,13-16,18-23H2,1-12H3,(H,51,52)/b24-17+/t25-,26+,27+,28+,29-,30+,31-,32-,33-,34+,35+,36+,37-,38-,39-,41-,42+,44+,45-,46+,47+/m1/s1

InChIKey

InChIKey=FELYAZAWTURXNF-KWJIWYEDSA-N

SMILES

C[C@H]1[C@]2(O[C@](C[C@@H]1O[C@H]3O[C@H](C)[C@@H](OC)CC3)([C@@]4(C)O[C@@]5(CC4)O[C@]([C@H](/C=C(/C([C@@H](C[C@@H](C(O)=O)C)C)=O)\C)C)([C@H](C)[C@@H](O)C5)[H])[H])O[C@](C[C@@H]2C)([C@]6(O[C@](CO)(O)[C@H](C)C[C@@H]6C)[H])[H]

Canonical SMILES

O=C(O)C(C)CC(C(=O)C(=CC(C)C1OC2(OC(C)(CC2)C3OC4(OC(CC4C)C5OC(O)(CO)C(C)CC5C)C(C)C(OC6OC(C)C(OC)CC6)C3)CC(O)C1C)C)C

Other Names for this Substance

  • 6-Nonenoic acid, 8-[(2S,2′R,4′S,5R,5′S,7R,7′R,8R,9S,9′S,10′R)-9-hydroxy-2,4′,8,10′-tetramethyl-2′-[(2S,3S,5R,6R)-tetrahydro-6-hydroxy-6-(hydroxymethyl)-3,5-dimethyl-2H-pyran-2-yl]-9′-[[(2S,5S,6R)-tetrahydro-5-methoxy-6-methyl-2H-pyran-2-yl]oxy][2,7′-bi-1,6-dioxaspiro[4.5]dec]-7-yl]-2,4,6-trimethyl-5-oxo-, (2S,4R,6E,8S)-
  • Dianemycin
  • (2S,4R,6E,8S)-8-[(2S,2′R,4′S,5R,5′S,7R,7′R,8R,9S,9′S,10′R)-9-Hydroxy-2,4′,8,10′-tetramethyl-2′-[(2S,3S,5R,6R)-tetrahydro-6-hydroxy-6-(hydroxymethyl)-3,5-dimethyl-2H-pyran-2-yl]-9′-[[(2S,5S,6R)-tetrahydro-5-methoxy-6-methyl-2H-pyran-2-yl]oxy][2,7′-bi-1,6-dioxaspiro[4.5]dec]-7-yl]-2,4,6-trimethyl-5-oxo-6-nonenoic acid
  • Stereoisomer of 8-[9-hydroxy-2,4′,8,10′-tetramethyl-2′-[tetrahydro-6-hydroxy-6-(hydroxymethyl)-3,5-dimethyl-2H-pyran-2-yl]-9′-[(tetrahydro-5-methoxy-6-methyl-2H-pyran-2-yl)oxy][2,7′-bi-1,6-dioxaspiro[4.5]dec]-7-yl]-2,4,6-trimethyl-5-oxo-6-nonenoic acid
  • 6-Nonenoic acid, 8-[9-hydroxy-2,4′,8,10′-tetramethyl-2′-[tetrahydro-6-hydroxy-6-(hydroxymethyl)-3,5-dimethyl-2H-pyran-2-yl]-9′-[(tetrahydro-5-methoxy-6-methyl-2H-pyran-2-yl)oxy][2,7′-bi-1,6-dioxaspiro[4.5]dec]-7-yl]-2,4,6-trimethyl-5-oxo-, [2S-[2α[2′S*,4′R*,5′R*,7′S*[2R*,5S*,7S*(2R*,4S*,6E,8R*),8S*,9R*],9′R*(2R*,5R*,6S*),10′S*],3β,5β,6β]]-

View All

Deleted or Replaced CAS Registry Numbers

11032-99-8, 37294-07-8