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6H-Dibenzo[b,d]pyran-1,10-diol, 6a,7,8,9,10,10a-hexahydro-6,6,9-trimethyl-3-pentyl-, diacetate, [6aR-(6a.alpha.,9.beta.,10a,10a.beta.)]-
SpectraBase Compound ID E76Vo7eeZc7
InChI InChI=1S/C25H36O5/c1-7-8-9-10-18-13-20(28-16(3)26)23-21(14-18)30-25(5,6)19-12-11-15(2)24(22(19)23)29-17(4)27/h13-15,19,22,24H,7-12H2,1-6H3/t15-,19+,22+,24+/m0/s1
InChIKey VVHKJBINESIYIG-PCDFTMEQSA-N
Mol Weight 416.6 g/mol
Molecular Formula C25H36O5
Exact Mass 416.256274 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID K64t590gt0T
Name 6H-Dibenzo[b,d]pyran-1,10-diol, 6a,7,8,9,10,10a-hexahydro-6,6,9-trimethyl-3-pentyl-, diacetate, [6aR-(6a.alpha.,9.beta.,10a,10a.beta.)]-
Alternate Name(s) (6aR,9S,10R,10aR)-1-(acetyloxy)-6,6,9-trimethyl-3-pentyl-6a,7,8,9,10,10a-hexahydro-6H-benzo[c]chromen-10-yl acetate 1,10.beta.-diacetoxy-3-(n-pentyl)-6,6,9.alpha.-trimethyl-6a,10a-trans-6a,7,8,9,10,10a-hexahydrodibenzo[b,d]pyran
CAS Registry Number 60948-22-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H36O5
InChI InChI=1S/C25H36O5/c1-7-8-9-10-18-13-20(28-16(3)26)23-21(14-18)30-25(5,6)19-12-11-15(2)24(22(19)23)29-17(4)27/h13-15,19,22,24H,7-12H2,1-6H3/t15-,19+,22+,24+/m0/s1
InChIKey VVHKJBINESIYIG-PCDFTMEQSA-N
Molecular Weight 416.558 g/mol
SMILES [C@@]12(c3c(cc(cc3OC(=O)C)CCCCC)OC([C@@]1(CC[C@@]([C@]2(OC(=O)C)[H])(C)[H])[H])(C)C)[H]
SPLASH splash10-03k9-0059100000-ec50cbbe793e383be4d3
Source of Spectrum H-59-1967-10
Wiley ID 1376490