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Cyclopenta[h]-2-benzopyran-6(1H)-one, 1-(acetyloxy)decahydro-4a,6a-dimethyl-9-(1-methylethyl)-3-(2-oxopropy l)-, [1R-(1.alpha.,3.beta.,4a.beta.,6a.alpha.,9.beta.,9a.beta.,9b.alpha.)]-
SpectraBase Compound ID L77P0pWWCpQ
InChI InChI=1S/C22H34O5/c1-12(2)16-7-8-22(6)17(25)11-21(5)10-15(9-13(3)23)27-20(26-14(4)24)19(21)18(16)22/h12,15-16,18-20H,7-11H2,1-6H3/t15-,16-,18?,19?,20-,21+,22+/m0/s1
InChIKey ZHJMMJDEXAMDOA-MEPXVKAESA-N
Mol Weight 378.5 g/mol
Molecular Formula C22H34O5
Exact Mass 378.240624 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IqiWfPzMI5I
Name Cyclopenta[h]-2-benzopyran-6(1H)-one, 1-(acetyloxy)decahydro-4a,6a-dimethyl-9-(1-methylethyl)-3-(2-oxopropy l)-, [1R-(1.alpha.,3.beta.,4a.beta.,6a.alpha.,9.beta.,9a.beta.,9b.alpha.)]-
CAS Registry Number 67068-10-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H34O5
InChI InChI=1S/C22H34O5/c1-12(2)16-7-8-22(6)17(25)11-21(5)10-15(9-13(3)23)27-20(26-14(4)24)19(21)18(16)22/h12,15-16,18-20H,7-11H2,1-6H3/t15-,16-,18?,19?,20-,21+,22+/m0/s1
InChIKey ZHJMMJDEXAMDOA-MEPXVKAESA-N
Molecular Weight 378.509 g/mol
SMILES [C@]12(C(C3[C@](O[C@](C[C@@]3(CC2=O)C)(CC(=O)C)[H])(OC(=O)C)[H])[C@](C(C)C)(CC1)[H])C
SPLASH splash10-0006-9300000000-3b7ea82dbf9786fb9948
Source of Spectrum KC-1979-2716-0
Synonyms (1R,3R,4aR,6aS,9S)-9-isopropyl-4a,6a-dimethyl-6-oxo-3-(2-oxopropyl)dodecahydroindeno[4,5-c]pyran-1-yl acetate 5.alpha.-acetonyl-3.beta.-acetoxy-7.alpha.,10.beta.-dimethyl-13.alpha.-isopropyl-4-oxatricyclo[8.3.0.0(2,7)]tridecan-9-one
Wiley ID 1358871