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Gelliusterol A
SpectraBase Compound ID Ea4AT10yWuf
InChI InChI=1S/C25H38O2/c1-5-6-7-16(2)19-8-9-20-23-21(11-13-25(19,20)4)24(3)12-10-18(26)14-17(24)15-22(23)27/h15-16,18-23,26-27H,7-14H2,1-4H3/t16-,18+,19-,20+,21+,22-,23+,24+,25-/m1/s1
InChIKey HXKFBPDJHKTBKT-YTQPAVHCSA-N
Mol Weight 370.6 g/mol
Molecular Formula C25H38O2
Exact Mass 370.28718 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KtwuhD7IBiA
Name Gelliusterol A
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H38O2
InChI InChI=1S/C25H38O2/c1-5-6-7-16(2)19-8-9-20-23-21(11-13-25(19,20)4)24(3)12-10-18(26)14-17(24)15-22(23)27/h15-16,18-23,26-27H,7-14H2,1-4H3/t16-,18+,19-,20+,21+,22-,23+,24+,25-/m1/s1
InChIKey HXKFBPDJHKTBKT-YTQPAVHCSA-N
Molecular Weight 370.577 g/mol
SMILES O[C@@]1(C=C2[C@](CC[C@@](C2)(O)[H])([C@]2(CC[C@@]3([C@](CC[C@]3([C@]12[H])[H])([C@@](CC#CC)(C)[H])[H])C)[H])C)[H]
SPLASH splash10-0uxr-8829000000-371c4804a33191d4d980
Source of Spectrum G4-64-743-1
Synonyms (3S,7S,8S,9S,10R,13R,14S,17R)-17-[(2R)-hex-4-yn-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,7-diol
Wiley ID 1609036