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Bis[[1R-(1R*,4E,8E,12S*,16R*)]-4,8,12,14,14-Pentamethyl-13-oxabicyclo[10.2.2]hexadeca-4,8-diene-16-ol]-carbonate
SpectraBase Compound ID KuJrxoR0iXM
InChI InChI=1S/C41H66O5/c1-29-15-11-17-31(3)21-23-33-27-35(40(9,25-13-19-29)45-38(33,5)6)43-37(42)44-36-28-34-24-22-32(4)18-12-16-30(2)20-14-26-41(36,10)46-39(34,7)8/h17-20,33-36H,11-16,21-28H2,1-10H3/b29-19-,30-20-,31-17-,32-18-/t33-,34-,35+,36+,40-,41+/m1/s1
InChIKey DWEWIXQUGQKTPY-OISMWKFPSA-N
Mol Weight 639.0 g/mol
Molecular Formula C41H66O5
Exact Mass 638.491025 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8TTs7fl4ctg
Name Bis[[1R-(1R*,4E,8E,12S*,16R*)]-4,8,12,14,14-Pentamethyl-13-oxabicyclo[10.2.2]hexadeca-4,8-diene-16-ol]-carbonate
CAS Registry Number 78039-81-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C41H66O5
InChI InChI=1S/C41H66O5/c1-29-15-11-17-31(3)21-23-33-27-35(40(9,25-13-19-29)45-38(33,5)6)43-37(42)44-36-28-34-24-22-32(4)18-12-16-30(2)20-14-26-41(36,10)46-39(34,7)8/h17-20,33-36H,11-16,21-28H2,1-10H3/b29-19-,30-20-,31-17-,32-18-/t33-,34-,35+,36+,40-,41+/m1/s1
InChIKey DWEWIXQUGQKTPY-OISMWKFPSA-N
Molecular Weight 638.974 g/mol
SMILES [C@]12(OC([C@@](C[C@@]2(OC(O[C@@]2([C@]3(OC([C@@](C2)(CC\C(=C/CC\C(=C/CC3)C)C)[H])(C)C)C)[H])=O)[H])(CC\C(=C/CC\C(=C/CC1)C)C)[H])(C)C)C
SPLASH splash10-001i-9350000000-8cfb5eb3001e2b8cb519
Source of Spectrum J-46-4283-0
Synonyms bis[(1R,12S,16S)-4,8,12,14,14-pentamethyl-13-oxabicyclo[10.2.2]hexadeca-4,8-dien-16-yl]carbonate
Wiley ID 1412540