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18R,20-DIHYDROXY-2,10,19(21)-CLADOCORATRIEN-22(20)-OLIDE;MAJOR-ISOMER
SpectraBase Compound ID DGDneuIFJip
InChI InChI=1S/C25H38O4/c1-16(2)8-6-12-24(4)13-7-9-20-19(24)11-10-17(3)25(20,5)15-21(26)18-14-22(27)29-23(18)28/h9,14,17,19,21,23,26,28H,1,6-8,10-13,15H2,2-5H3/t17-,19+,21-,23?,24+,25+/m1/s1
InChIKey BSCXBLSTGMUDKH-GLHFMLLVSA-N
Mol Weight 402.6 g/mol
Molecular Formula C25H38O4
Exact Mass 402.27701 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BUZA0MOIAu1
Name 3-[(1R)-2-[(1S,2R,4aR,5S)-1,2,5-trimethyl-5-(4-methylpent-4-enyl)-2,3,4,4a,6,7-hexahydronaphthalen-1-yl]-1-hydroxy-ethyl]-2-hydroxy-2H-furan-5-one
Alternate Name(s) 3-[(1R)-2-[(1S,2R,4aR,5S)-1,2,5-trimethyl-5-(4-methylpent-4-enyl)-2,3,4,4a,6,7-hexahydronaphthalen-1-yl]-1-oxidanyl-ethyl]-2-oxidanyl-2H-furan-5-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H38O4
InChI InChI=1S/C25H38O4/c1-16(2)8-6-12-24(4)13-7-9-20-19(24)11-10-17(3)25(20,5)15-21(26)18-14-22(27)29-23(18)28/h9,14,17,19,21,23,26,28H,1,6-8,10-13,15H2,2-5H3/t17-,19+,21-,23?,24+,25+/m1/s1
InChIKey BSCXBLSTGMUDKH-GLHFMLLVSA-N
Molecular Weight 402.575 g/mol
SMILES OC1C([C@@](C[C@@]2(C=3[C@]([C@](CCCC(=C)C)(C)CCC3)([H])CC[C@]2(C)[H])C)(O)[H])=CC(O1)=O
SPLASH splash10-0zi0-0693000000-75c852977e606b048813
Source of Spectrum J-63-2849-2
Wiley ID 1370577