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4aH-Dibenzo[a,d]cycloheptene-4a,5,7-triol, 1,2,3,4,5,10,11,11a-octahydro-1,1-dimethyl-8-(1-methylethyl)-, 5,7-diacetate, [4aR-(4a.alpha.,5.alpha.,11a.beta.)]-

View entire compound with spectra: 1 MS (GC)

4aH-Dibenzo[a,d]cycloheptene-4a,5,7-triol, 1,2,3,4,5,10,11,11a-octahydro-1,1-dimethyl-8-(1-methylethyl)-, 5,7-diacetate, [4aR-(4a.alpha.,5.alpha.,11a.beta.)]-
SpectraBase Compound ID 8mZmpM2VZ26
InChI InChI=1S/C24H34O5/c1-14(2)18-12-17-8-9-21-23(5,6)10-7-11-24(21,27)22(29-16(4)26)19(17)13-20(18)28-15(3)25/h12-14,21-22,27H,7-11H2,1-6H3/t21-,22-,24+/m0/s1
InChIKey BBOICQLWERMWCX-WPFOTENUSA-N
Mol Weight 402.5 g/mol
Molecular Formula C24H34O5
Exact Mass 402.240624 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9Bi8HIzt1aV
Name 4aH-Dibenzo[a,d]cycloheptene-4a,5,7-triol, 1,2,3,4,5,10,11,11a-octahydro-1,1-dimethyl-8-(1-methylethyl)-, 5,7-diacetate, [4aR-(4a.alpha.,5.alpha.,11a.beta.)]-
Alternate Name(s) (4aR,5S,11aS)-5-(acetyloxy)-4a-hydroxy-8-isopropyl-1,1-dimethyl-2,3,4,4a,5,10,11,11a-octahydro-1H-dibenzo[a,d]cyclohepten-7-yl acetate Pisiferdiol-10,13-diacetate
CAS Registry Number 95263-33-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H34O5
InChI InChI=1S/C24H34O5/c1-14(2)18-12-17-8-9-21-23(5,6)10-7-11-24(21,27)22(29-16(4)26)19(17)13-20(18)28-15(3)25/h12-14,21-22,27H,7-11H2,1-6H3/t21-,22-,24+/m0/s1
InChIKey BBOICQLWERMWCX-WPFOTENUSA-N
Molecular Weight 402.531 g/mol
SMILES O[C@@]12[C@](c3cc(OC(=O)C)c(cc3CC[C@]1(C(C)(C)CCC2)[H])C(C)C)(OC(=O)C)[H]
SPLASH splash10-0udl-0119000000-ffd215159195a284eef6
Source of Spectrum F-42-533-2
Wiley ID 1370501