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1H-3,13a-Ethanocyclopenta[6,7]cyclodeca[1,2-c]pyran-7,13(3H,7aH)-dione, 10-(acetyloxy)decahydro-3-methoxy-4,4,10a-trimethyl-, [3S-(3.alpha.,4a.beta.,7a.beta.,10.beta.,10a.beta.,13a.alpha.)]-
SpectraBase Compound ID 7mgZToS5FTA
InChI InChI=1S/C24H36O6/c1-15(25)30-20-9-8-19(27)22(20,4)11-10-16-17(26)6-7-18-21(2,3)24(28-5)13-12-23(16,18)14-29-24/h16,18,20H,6-14H2,1-5H3/t16?,18-,20+,22-,23-,24+/m0/s1
InChIKey NEQMZJDCKGAJQW-XRSCEAQUSA-N
Mol Weight 420.5 g/mol
Molecular Formula C24H36O6
Exact Mass 420.251189 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID D4dXJtUVNtM
Name 1H-3,13a-Ethanocyclopenta[6,7]cyclodeca[1,2-c]pyran-7,13(3H,7aH)-dione, 10-(acetyloxy)decahydro-3-methoxy-4,4,10a-trimethyl-, [3S-(3.alpha.,4a.beta.,7a.beta.,10.beta.,10a.beta.,13a.alpha.)]-
CAS Registry Number 73480-51-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H36O6
InChI InChI=1S/C24H36O6/c1-15(25)30-20-9-8-19(27)22(20,4)11-10-16-17(26)6-7-18-21(2,3)24(28-5)13-12-23(16,18)14-29-24/h16,18,20H,6-14H2,1-5H3/t16?,18-,20+,22-,23-,24+/m0/s1
InChIKey NEQMZJDCKGAJQW-XRSCEAQUSA-N
Molecular Weight 420.546 g/mol
SMILES [C@]123[C@](C(C)(C)[C@](CC3)(OC)OC1)(CCC(C2CC[C@@]1([C@](OC(=O)C)(CCC1=O)[H])C)=O)[H]
SPLASH splash10-000f-8096200000-d9f24ed52767097425f2
Source of Spectrum H-62-2752-0
Synonyms (1R,2R)-2-{2-[(1R,6R,8R)-8-methoxy-7,7-dimethyl-3-oxo-9-oxatricyclo[6.2.2.0(1,6)]dodec-2-yl]ethyl}-2-methyl-3-oxocyclopentyl acetate 17.beta.-acetoxy-3,19-epoxy-3.alpha.-methoxy-4,4-dimethyl-8,14-seco-5.alpha.,13.alpha.-androstan-8,14-dione 17.beta.-acetoxy-3,19-epoxy-3.alpha.-methoxy-4,4-dimethyl-8,14-seco-5.alpha.-androstan-8,14-dione 17.beta.-acetoxy-3.beta.,19-epoxy-3.alpha.-methoxy-4,4-dimethyl-8,9-seco-5.alpha.,13.alpha.-androstan-8,9-dione
Wiley ID 1378007