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3H-3,8a-Ethano-1H-2-benzopyran-7(8H)-one, 6-(acetyloxy)-8-[2-[2-(acetyloxy)-1-methyl-5-oxocyclopentyl]ethyl]tet rahydro-3-methoxy-4,4-dimethyl-, [3S-[3.alpha.,4a.beta.,6.beta.,8.alpha.(1R*,2R*),8a.alpha.]]-
SpectraBase Compound ID FBBrtyjMHg9
InChI InChI=1S/C26H38O8/c1-15(27)33-18-13-19-23(3,4)26(31-6)12-11-25(19,14-32-26)17(22(18)30)9-10-24(5)20(29)7-8-21(24)34-16(2)28/h17-19,21H,7-14H2,1-6H3/t17-,18+,19-,21-,24+,25-,26+/m0/s1
InChIKey ZPRGNYSJWRQGBV-SSBWMCLHSA-N
Mol Weight 478.6 g/mol
Molecular Formula C26H38O8
Exact Mass 478.256668 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6dLhZbtcYhS
Name 3H-3,8a-Ethano-1H-2-benzopyran-7(8H)-one, 6-(acetyloxy)-8-[2-[2-(acetyloxy)-1-methyl-5-oxocyclopentyl]ethyl]tet rahydro-3-methoxy-4,4-dimethyl-, [3S-[3.alpha.,4a.beta.,6.beta.,8.alpha.(1R*,2R*),8a.alpha.]]-
CAS Registry Number 73480-56-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H38O8
InChI InChI=1S/C26H38O8/c1-15(27)33-18-13-19-23(3,4)26(31-6)12-11-25(19,14-32-26)17(22(18)30)9-10-24(5)20(29)7-8-21(24)34-16(2)28/h17-19,21H,7-14H2,1-6H3/t17-,18+,19-,21-,24+,25-,26+/m0/s1
InChIKey ZPRGNYSJWRQGBV-SSBWMCLHSA-N
Molecular Weight 478.582 g/mol
SMILES [C@]123[C@](C(C)(C)[C@](CC3)(OC)OC1)(C[C@](C([C@@]2(CC[C@]1([C@@](OC(=O)C)(CCC1=O)[H])C)[H])=O)(OC(=O)C)[H])[H]
SPLASH splash10-0006-9080300000-0df189f5ae5229554e5f
Source of Spectrum H-62-2752-0
Synonyms (1S,2S)-2-{2-[(1R,2R,4R,6R,8R)-4-(acetyloxy)-8-methoxy-7,7-dimethyl-3-oxo-9-oxatricyclo[6.2.2.0(1,6)]dodec-2-yl]ethyl}-2-methyl-3-oxocyclopentyl acetate 7.alpha.,17.beta.-diacetoxy-3.beta.,19-epoxy-3.alpha.-methoxy-4,4-dimethyl-8,14-seco-5.alpha.,13.alpha.-androstan-8,14-dione
Wiley ID 1394745