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polypoda-7(8),13,17,21-tetraen-3beta-ol
SpectraBase Compound ID LpOWIGnslqB
InChI InChI=1S/C30H50O/c1-22(2)12-9-13-23(3)14-10-15-24(4)16-11-17-26-25(5)18-19-27-29(6,7)28(31)20-21-30(26,27)8/h12,14,16,18,26-28,31H,9-11,13,15,17,19-21H2,1-8H3/b23-14+,24-16+/t26-,27-,28-,30+/m0/s1
InChIKey BPGVNJWOXOAFIV-XVWKQLFASA-N
Mol Weight 426.7 g/mol
Molecular Formula C30H50O
Exact Mass 426.386166 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7h8IsgvyXci
Name polypoda-7(8),13,17,21-tetraen-3beta-ol
Alternate Name(s) 3beta-hydroxy-gamma-polypodatetraene (2S,4aR,5S,8aR)-1,1,4a,6-tetramethyl-5-((3E,7E)-4,8,12-trimethyltrideca-3,7,11-trien-1-yl)-1,2,3,4,4a,5,8,8a-octahydronaphthalen-2-ol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C30H50O
InChI InChI=1S/C30H50O/c1-22(2)12-9-13-23(3)14-10-15-24(4)16-11-17-26-25(5)18-19-27-29(6,7)28(31)20-21-30(26,27)8/h12,14,16,18,26-28,31H,9-11,13,15,17,19-21H2,1-8H3/b23-14+,24-16+/t26-,27-,28-,30+/m0/s1
InChIKey BPGVNJWOXOAFIV-XVWKQLFASA-N
Literature Reference DOI 10.1002/cbic.201800281
Molecular Weight 426.729 g/mol
SMILES O[C@@]1(C([C@]2([C@@](CC1)(C)[C@](C(=CC2)C)(CC\C=C\(CC\C=C\(CCC=C(C)C)C)C)[H])[H])(C)C)[H]
SPLASH splash10-0159-8910000000-826670125e0dcfe51415
Source of Spectrum CBC-19-SM87-36
Wiley ID 1814188