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Scupolin I

View entire compound with spectra: 1 MS (GC)

Scupolin I
SpectraBase Compound ID GyjzUpF4UNf
InChI InChI=1S/C24H36O8/c1-12-6-18(29-13(2)25)24-16(9-15(30-21(24)27-5)10-23(24)11-28-23)22(12,3)17-7-14-8-19(26-4)32-20(14)31-17/h12,14-21H,6-11H2,1-5H3/t12-,14+,15-,16-,17+,18+,19-,20-,21?,22+,23+,24+/m1/s1
InChIKey JABSDRHNLBFGDC-FJZQRKFLSA-N
Mol Weight 452.5 g/mol
Molecular Formula C24H36O8
Exact Mass 452.241018 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EQA1LowfU8H
Name Scupolin I
Alternate Name(s) (1'R,2R,2'S,4'R,5'S,6'R,8'R)-5'-[(2S,3aS,5R,6aR)-5-methoxy-hexahydrofuro[2,3-b]furan-2-yl]-11'-methoxy-4',5'-dimethyl-12'-oxaspiro[oxirane-2,10'-tricyclo[6.2.2.0(1,6)]dodecane]-2'-yl acetate 6.alpha.-Acetoxy-2.alpha,19: 4.alpha.,18: 11,16: 15,16-tetraepoxy-15,19-dimethoxy-neoclerod-14-ene
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H36O8
InChI InChI=1S/C24H36O8/c1-12-6-18(29-13(2)25)24-16(9-15(30-21(24)27-5)10-23(24)11-28-23)22(12,3)17-7-14-8-19(26-4)32-20(14)31-17/h12,14-21H,6-11H2,1-5H3/t12-,14+,15-,16-,17+,18+,19-,20-,21?,22+,23+,24+/m1/s1
InChIKey JABSDRHNLBFGDC-FJZQRKFLSA-N
Molecular Weight 452.544 g/mol
SMILES [C@]123[C@]4(OC4)C[C@](OC1OC)(C[C@@]2([C@]([C@]1(O[C@@]2(O[C@](C[C@@]2(C1)[H])(OC)[H])[H])[H])(C)[C@@](C[C@@]3(OC(=O)C)[H])(C)[H])[H])[H]
SPLASH splash10-03dl-4900000000-ddcfa962b4c68731501d
Source of Spectrum G4-60-1235-11
Wiley ID 1606988