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(E)-4-[(1R,3R)-3-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-18-[(1R,3R)-2,2-dimethyl-6-methylidene-3-[(E)-3-methyl-4-oxidanyl-but-2-enyl]cyclohexyl]-3,7,12,16-tetramethyl-octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]-2,2-dimethyl-4-methylidene-cyclohexyl]-2-methyl-but-2-en-1-ol

Compound with spectra: 2 MS (GC)

(E)-4-[(1R,3R)-3-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-18-[(1R,3R)-2,2-dimethyl-6-methylidene-3-[(E)-3-methyl-4-oxidanyl-but-2-enyl]cyclohexyl]-3,7,12,16-tetramethyl-octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]-2,2-dimethyl-4-methylidene-cyclohexyl]-2-methyl-but-2-en-1-ol
SpectraBase Compound ID 2vuA2FHP2zM
InChI InChI=1S/C50H72O2/c1-37(19-15-21-39(3)25-33-47-43(7)27-31-45(49(47,9)10)29-23-41(5)35-51)17-13-14-18-38(2)20-16-22-40(4)26-34-48-44(8)28-32-46(50(48,11)12)30-24-42(6)36-52/h13-26,33-34,45-48,51-52H,7-8,27-32,35-36H2,1-6,9-12H3/b14-13+,19-15+,20-16+,33-25+,34-26+,37-17+,38-18+,39-21+,40-22+,41-23+,42-24+/t45-,46-,47+,48+/m0/s1
InChIKey XFXHBQLETDDGGF-XUYZKQIISA-N
Mol Weight 705.1 g/mol
Molecular Formula C50H72O2
Exact Mass 704.553232 g/mol
Enantiomer InChIKey XFXHBQLETDDGGF-MTBAGFQCSA-N

View Spectrum of (E)-4-[(1R,3R)-3-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-18-[(1R,3R)-2,2-dimethyl-6-methylidene-3-[(E)-3-methyl-4-oxidanyl-but-2-enyl]cyclohexyl]-3,7,12,16-tetramethyl-octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]-2,2-dimethyl-4-methylidene-cyclohexyl]-2-methyl-but-2-en-1-ol

MS (GC) Spectrum
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Source of Spectrum S-27-2332-3

View Spectrum of (E)-4-[(1R,3R)-3-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-18-[(1R,3R)-2,2-dimethyl-6-methylidene-3-[(E)-3-methyl-4-oxidanyl-but-2-enyl]cyclohexyl]-3,7,12,16-tetramethyl-octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]-2,2-dimethyl-4-methylidene-cyclohexyl]-2-methyl-but-2-en-1-ol

MS (GC) Spectrum
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Source of Spectrum F-46-484-3
2-Propenoic acid, 3-[2,2-dimethyl-6-methylene-3-[[(methylsulfonyl)oxy]methyl]cyclohexyl]-, [1.alpha.(E),3.alpha.]-(.+-.)-
ENT-VERTICILLA-4-(18),9,13-TRIEN-12-ALPHA-OL
(4E)-1-BROMO-5-[(1'S*,3'R*)-3'-BROMO-2',2'-DIMETHYL-6'-METHYLENECYCLOHEXYL]-3-METHYLPENT-4-ENE-2,3-DIOL
3-Buten-2-one, 4-[5-(1,3-dioxolan-2-ylmethyl)-2,6,6-trimethyl-2-cyclohexen-1-yl]-, [1R-[1.alpha.(E),5.alpha.]]-
2-Propenoic acid, 3-[2,6,6-trimethyl-5-[[(methylsulfonyl)oxy]methyl]-2-cyclohexen-1-yl]-, [1.alpha.(E),5.alpha.]-(.+-.)-
Cyclic C33-2 botryococcene
Verticillene
4,8,14,15,15-Pentamethylbicyclo(9.3.1)pentadeca-4(e),8(e),14-triene
1,4-Pentadien-3-ol, 3-methyl-1-[2,6,6-trimethyl-5-(3-methyl-2-butenyl)-1-cyclohexen-1-yl]-
GYROSANOL_B;(2-S,5-R,10-R,13-E)-6,8,11-(18),13-LOBATETRAEN-15-OL
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