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Neopolypoda-5(6),13,17,21-tetraene

View entire compound with spectra: 1 MS (GC)

Neopolypoda-5(6),13,17,21-tetraene
SpectraBase Compound ID DcRtSaVMCuY
InChI InChI=1S/C30H50/c1-23(2)13-9-14-24(3)15-10-16-25(4)17-11-22-30(8)26(5)19-20-27-28(30)18-12-21-29(27,6)7/h13,15,17,20,26,28H,9-12,14,16,18-19,21-22H2,1-8H3/b24-15+,25-17+/t26-,28+,30+/m0/s1
InChIKey QXYDYCNBLQIDBF-WFILQMMSSA-N
Mol Weight 410.7 g/mol
Molecular Formula C30H50
Exact Mass 410.391252 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID H8mH9w3aYVZ
Name Neopolypoda-5(6),13,17,21-tetraene
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C30H50
InChI InChI=1S/C30H50/c1-23(2)13-9-14-24(3)15-10-16-25(4)17-11-22-30(8)26(5)19-20-27-28(30)18-12-21-29(27,6)7/h13,15,17,20,26,28H,9-12,14,16,18-19,21-22H2,1-8H3/b24-15+,25-17+/t26-,28+,30+/m0/s1
InChIKey QXYDYCNBLQIDBF-WFILQMMSSA-N
Literature Reference DOI 10.1002/cbic.201800281
Molecular Weight 410.730 g/mol
SMILES C1C[C@@]2(C(=CC[C@@]([C@]2(CC\C=C\(CC\C=C\(CCC=C(C)C)C)C)C)(C)[H])C(C1)(C)C)[H]
SPLASH splash10-00l6-9500000000-3949323e55a6ddb1575d
Source of Spectrum CBC-19-SM48-28
Synonyms (4aS,5R,6S)-1,1,5,6-tetramethyl-5-((3E,7E)-4,8,12-trimethyltrideca-3,7,11-trien-1-yl)-1,2,3,4,4a,5,6,7-octahydronaphthalene
Wiley ID 1814180