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

SpectraBase Compound ID	26onqkXMiVV
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-JTXNQHQZSA-N Google Search
Mol Weight	743.0 g/mol
Molecular Formula	C44H70O9
Exact Mass	742.501984 g/mol

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SpectraBase Spectrum ID	D2jrP0rTIru
Name	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
Compound Number	1
Copyright	Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula	C44H70O9
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-JTXNQHQZSA-N
Literature Reference Author	G.GUNAWARDANA,D.CHATTERJEE,K.M.GEORGE,P.BRENNAN,D.WHITTERN,P .L.C.SMALL
Literature Reference Citation	J.AM.CHEM.SOC.,121,6092(1999)
Literature Reference DOI	10.1021/ja990017l
Molecular Weight	743.034 g/mol
Solvent	ACETONE-D6
Source File Reference	UWRU11424