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(1R,3R,13S)-15-[(5S)-2,5-Dihydro-5-methyl-2-oxofuran-3-yl]-3,13-dihydroxy-1-{(2R,5S)-5-[(1R)-1-hydroxytridecyl]tetrahydrofuran-2-yl}pentadecyl Acetate
SpectraBase Compound ID E9Sp03wVngx
InChI InChI=1S/C39H70O8/c1-4-5-6-7-8-9-10-14-17-20-23-35(43)36-26-27-37(47-36)38(46-31(3)40)29-34(42)22-19-16-13-11-12-15-18-21-33(41)25-24-32-28-30(2)45-39(32)44/h28,30,33-38,41-43H,4-27,29H2,1-3H3/t30-,33-,34+,35+,36-,37+,38+/m0/s1
InChIKey BIODFBOSASJNMO-VSTJRJLVSA-N
Mol Weight 667.0 g/mol
Molecular Formula C39H70O8
Exact Mass 666.507069 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KKlNCpZ0ynP
Name (1R,3R,13S)-15-[(5S)-2,5-Dihydro-5-methyl-2-oxofuran-3-yl]-3,13-dihydroxy-1-{(2R,5S)-5-[(1R)-1-hydroxytridecyl]tetrahydrofuran-2-yl}pentadecyl Acetate
Alternate Name(s) Sootepensin A (1R,3R,13S)-3,13-dihydroxy-1-((2R,5S)-5-((R)-1-hydroxytridecyl)tetrahydrofuran-2-yl)-15-((S)-5-methyl-2-oxo-2,5-dihydrofuran-3-yl)pentadecyl acetate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C39H70O8
InChI InChI=1S/C39H70O8/c1-4-5-6-7-8-9-10-14-17-20-23-35(43)36-26-27-37(47-36)38(46-31(3)40)29-34(42)22-19-16-13-11-12-15-18-21-33(41)25-24-32-28-30(2)45-39(32)44/h28,30,33-38,41-43H,4-27,29H2,1-3H3/t30-,33-,34+,35+,36-,37+,38+/m0/s1
InChIKey BIODFBOSASJNMO-VSTJRJLVSA-N
Literature Reference DOI 10.1002_(SICI)1522-2675(19980909)81_9_1608
Molecular Weight 666.981 g/mol
SMILES O[C@@]([C@]1(O[C@@]([C@@](C[C@@](CCCCCCCCC[C@@](CCC=2C(O[C@](C2)(C)[H])=O)(O)[H])(O)[H])(OC(C)=O)[H])(CC1)[H])[H])(CCCCCCCCCCCC)[H]
SPLASH splash10-029i-0019100000-fb39ab21ba4f2a790af4
Source of Spectrum H-81-1614-1
Wiley ID 1785337