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3H-1,17-Methenocyclooctadeca[c]furan-18,19,20-triol, 3a,4,5,8,9,12,13,16-octahydro-3,3,6,10,14-pentamethyl-, triacetate, [S-(E,E,E)]-
SpectraBase Compound ID dTUFY96mIN
InChI InChI=1S/C32H42O7/c1-19-11-9-13-20(2)15-17-25-28(36-22(4)33)30(38-24(6)35)27-26(18-16-21(3)14-10-12-19)32(7,8)39-31(27)29(25)37-23(5)34/h11,14-15,26H,9-10,12-13,16-18H2,1-8H3/b19-11-,20-15-,21-14-/t26-/m0/s1
InChIKey OMQTZBBOWPOASK-ZBNKBNIRSA-N
Mol Weight 538.7 g/mol
Molecular Formula C32H42O7
Exact Mass 538.293054 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EU72ZQDYyXG
Name 3H-1,17-Methenocyclooctadeca[c]furan-18,19,20-triol, 3a,4,5,8,9,12,13,16-octahydro-3,3,6,10,14-pentamethyl-, triacetate, [S-(E,E,E)]-
Alternate Name(s) (4S)-19,20-bis(acetyloxy)-3,3,7,11,15-pentamethyl-2-oxatricyclo[16.3.1.0(4,21)]docosa-1(22),7,11,15,18,20-hexaen-22-yl acetate Leukotridentoquinontriacetate
CAS Registry Number 58262-71-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C32H42O7
InChI InChI=1S/C32H42O7/c1-19-11-9-13-20(2)15-17-25-28(36-22(4)33)30(38-24(6)35)27-26(18-16-21(3)14-10-12-19)32(7,8)39-31(27)29(25)37-23(5)34/h11,14-15,26H,9-10,12-13,16-18H2,1-8H3/b19-11-,20-15-,21-14-/t26-/m0/s1
InChIKey OMQTZBBOWPOASK-ZBNKBNIRSA-N
Molecular Weight 538.681 g/mol
SMILES c12c3c(OC(=O)C)c(c(c2OC(=O)C)OC(=O)C)C\C=C/(CC\C=C/(CC\C=C/(CC[C@@]1(C(C)(C)O3)[H])C)C)C
SPLASH splash10-052p-9510530000-26d47c4919892b956697
Source of Spectrum O-11-474-1
Wiley ID 1404378