(2E,5S,6R,7S,9S,10E,12E,15R,16Z,18E)-19-[(2S,3S)-3,6-Dihydro-3-methyl-6-oxo-2H-pyran-2-yl]-17-ethyl-6-hydroxy-9-(hydroxymethyl)-3,5,7,11,15-pentamethyl-8-oxo-2,10,12,16,18-nonadecapentaenoic acid

CAS Registry Number®

92090-94-3

CAS Name

(2E,5S,6R,7S,9S,10E,12E,15R,16Z,18E)-19-[(2S,3S)-3,6-Dihydro-3-methyl-6-oxo-2H-pyran-2-yl]-17-ethyl-6-hydroxy-9-(hydroxymethyl)-3,5,7,11,15-pentamethyl-8-oxo-2,10,12,16,18-nonadecapentaenoic acid

Molecular Formula

C33H48O7

Molecular Mass

556.73

Cite this Page

(2E,5S,6R,7S,9S,10E,12E,15R,16Z,18E)-19-[(2S,3S)-3,6-Dihydro-3-methyl-6-oxo-2H-pyran-2-yl]-17-ethyl-6-hydroxy-9-(hydroxymethyl)-3,5,7,11,15-pentamethyl-8-oxo-2,10,12,16,18-nonadecapentaenoic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=92090-94-3 (retrieved 2024-11-22) (CAS RN: 92090-94-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C33H48O7/c1-8-27(13-14-29-24(5)12-15-31(37)40-29)17-21(2)10-9-11-22(3)18-28(20-34)33(39)26(7)32(38)25(6)16-23(4)19-30(35)36/h9,11-15,17-19,21,24-26,28-29,32,34,38H,8,10,16,20H2,1-7H3,(H,35,36)/b11-9+,14-13+,22-18+,23-19+,27-17-/t21-,24+,25+,26+,28+,29+,32-/m1/s1

InChIKey

InChIKey=KZMHNEBMQDBQND-LBNZKSCFSA-N

SMILES

C(=C/C(=C\[C@@H](C/C=C/C(=C/[C@H](C([C@H]([C@@H]([C@H](C/C(=C/C(O)=O)/C)C)O)C)=O)CO)/C)C)/CC)\[C@H]1[C@@H](C)C=CC(=O)O1

Canonical SMILES

O=C(O)C=C(C)CC(C)C(O)C(C(=O)C(C=C(C=CCC(C=C(C=CC1OC(=O)C=CC1C)CC)C)C)CO)C

Other Names for this Substance

  • 2,10,12,16,18-Nonadecapentaenoic acid, 19-[(2S,3S)-3,6-dihydro-3-methyl-6-oxo-2H-pyran-2-yl]-17-ethyl-6-hydroxy-9-(hydroxymethyl)-3,5,7,11,15-pentamethyl-8-oxo-, (2E,5S,6R,7S,9S,10E,12E,15R,16Z,18E)-
  • (2E,5S,6R,7S,9S,10E,12E,15R,16Z,18E)-19-[(2S,3S)-3,6-Dihydro-3-methyl-6-oxo-2H-pyran-2-yl]-17-ethyl-6-hydroxy-9-(hydroxymethyl)-3,5,7,11,15-pentamethyl-8-oxo-2,10,12,16,18-nonadecapentaenoic acid
  • Kazusamycin A
  • Antibiotic 81-484
  • PD 114721

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Deleted or Replaced CAS Registry Numbers

94664-05-8, 691348-21-7

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