For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.

MYCOLACTONE-B;[12-[(3E)-6,8-DIHYDROXY-1,3,5-TRIMETHYL-3-NONENYL]-(9Z)-7,9-DIMETHYL-2-OXOOXACYCLODODEC-9-EN-6-YL]-(2E,4E,6E,8E,10E)-12,13,15-TRIHYD

Compound with spectra: 1 NMR

MYCOLACTONE-B;[12-[(3E)-6,8-DIHYDROXY-1,3,5-TRIMETHYL-3-NONENYL]-(9Z)-7,9-DIMETHYL-2-OXOOXACYCLODODEC-9-EN-6-YL]-(2E,4E,6E,8E,10E)-12,13,15-TRIHYD
SpectraBase Compound ID yQFgUZciBc
InChI InChI=1S/C44H70O9/c1-28(13-11-14-29(2)25-39(48)40(49)27-37(10)46)21-30(3)18-20-44(51)52-41-15-12-16-43(50)53-42(19-17-31(4)22-34(41)7)35(8)24-32(5)23-33(6)38(47)26-36(9)45/h11,13-14,17-18,20-21,23,25,33-42,45-49H,12,15-16,19,22,24,26-27H2,1-10H3/b14-11+,20-18+,28-13+,29-25+,30-21+,31-17+,32-23+
InChIKey WKTLNJXZVDLRTJ-PHNMDMMISA-N
Mol Weight 743.0 g/mol
Molecular Formula C44H70O9
Exact Mass 742.501984 g/mol

View Spectrum of MYCOLACTONE-B;[12-[(3E)-6,8-DIHYDROXY-1,3,5-TRIMETHYL-3-NONENYL]-(9Z)-7,9-DIMETHYL-2-OXOOXACYCLODODEC-9-EN-6-YL]-(2E,4E,6E,8E,10E)-12,13,15-TRIHYD

13C NMR Spectrum
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent ACETONE-D6
MYCOLACTONE-A;SYNTHETIC-PRODUCT
MYCOLACTONE-A;[12-[(3E)-6,8-DIHYDROXY-1,3,5-TRIMETHYL-3-NONENYL]-(9Z)-7,9-DIMETHYL-2-OXOOXACYCLODODEC-9-EN-6-YL]-(2E,4Z,6E,8E,10E)-12,13,15-TRIHYD
MYCOLACTONE-B;SYNTHETIC-PRODUCT
3-(4'-t-Butylcyclohex-1'-enyl)-1-oxaspiro[4.5]dec-3-en-2-one
(1R*,7S*,14S*,3E,11E)-18-ACETOXY-7-HYDROPEROXYCEMBRA-3,8(19),11,15(17)-TETRAEN-16,14-OLIDE
RASFONIN-DIACETATE;TT-1-DIACETATE
(-)-(3AS,6Z,9Z,11S,11AS)-3A,4,5,8,11,11A-HEXAHYDRO-11-HYDROXY-5,10-DIMETHYL-3-METHYLENECYCLODECA-[B]-FURAN-2-(3H)-ONE
GIBBEROSENE_C;(3-S*,4-S*,11-S*,12-S*,1-E,7-E)-3-(4),11-(12)-DIEPOXY-13-HYDROXYCEMBRA-1,7-DIENE
1,6-NAPHTHALENEDIOL, 1,2,3,4,6,7,8,8A-OCTAHYDRO-8A-METHYL-1-ACETATE
GERMACRA-1(10)E,4Z,7(11)-TRIEN-12,8-A-OLIDE,14-HYDROXY-15-(2'-HYDROXYISOBUTANOYLOXY)
Title Journal or Book Year
Characterization of Novel Macrolide Toxins, Mycolactones A and B, from a Human Pathogen, Mycobacterium ulcerans Journal of the American Chemical Society 1999
Other Resources
Unknown Identification

Search your unknown spectrum against the world's largest collection of reference spectra

KnowItAll Campus Solutions

KnowItAll offers faculty and students at your school access to all the tools you need for spectral analysis and structure drawing & publishing! Plus, access the world's largest spectral library.