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Ergosta-5,7,22-trien-3-ol
SpectraBase Compound ID 6NRItT6Fx1b
InChI InChI=1S/C28H44O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h7-10,18-20,22,24-26,29H,11-17H2,1-6H3/b8-7+/t19-,20+,22?,24+,25-,26-,27-,28+/m0/s1
InChIKey DNVPQKQSNYMLRS-CLTUJMCISA-N
Mol Weight 396.7 g/mol
Molecular Formula C28H44O
Exact Mass 396.339216 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HBPuFYD0exu
Name ERGOSTA-5,7,22-TRIEN-3-OL
Copyright Copyright © 2011-2024 Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 396.339216036 u
Formula C28H44O
InChI InChI=1S/C28H44O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h7-10,18-20,22,24-26,29H,11-17H2,1-6H3/b8-7+/t19-,20+,22?,24+,25-,26-,27-,28+/m0/s1
InChIKey DNVPQKQSNYMLRS-CLTUJMCISA-N
Molecular Weight 396.659 g/mol
Nominal Mass 396 u
Number of Peaks 317
SMILES OC1CC[C@@]2([C@]3(CC[C@@]4([C@](CC[C@]4(C3=CC=C2C1)[H])([C@@](\C=C\[C@](C)(C(C)C)[H])(C)[H])[H])C)[H])C
SPLASH splash10-0005-8936000000-2ef0a2716113aa2ffc07
Source File Reference LMCM-92231-793Y
Source of Spectrum Prof. J. Seibl; ETH Zurich, Switzerland
Synonyms 10,13-DIMETHYL-17-(1,4,5-TRIMETHYL-HEX-2-ENYL)-2,3,4,9,10,11,12,13,14,15,16,17-DODECAHYDRO-1H-CYCLOPENTA[A]PHENANTHREN-3-OL (1S,2R,11R,14R,15R)-14-[(2R,3E,5R)-5,6-dimethylhept-3-en-2-yl]-2,15-dimethyltetracyclo[8.7.0.0(2,7).0(11,15)]heptadeca-7,9-dien-5-ol
Wiley ID 8_13740