(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
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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 acidMolecular Formula
C33H48O7Molecular Mass
556.73Cite 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 ) (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
Deleted or Replaced CAS Registry Numbers
94664-05-8, 691348-21-7