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ERGOSTA-5,7,22-TRIEN-3-YL ACETATE
SpectraBase Compound ID 2yAJUylcMHO
InChI InChI=1S/C30H46O2/c1-19(2)20(3)8-9-21(4)26-12-13-27-25-11-10-23-18-24(32-22(5)31)14-16-29(23,6)28(25)15-17-30(26,27)7/h8-11,19-21,24,26-28H,12-18H2,1-7H3/b9-8+/t20-,21+,24?,26+,27?,28?,29-,30+/m0/s1
InChIKey NGEVNHYPVVOXPB-RZGRTEBJSA-N
Mol Weight 438.7 g/mol
Molecular Formula C30H46O2
Exact Mass 438.349781 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8tMK3Czxt8h
Name ERGOSTA-5,7,22-TRIEN-3-YL ACETATE
Copyright Copyright © 2011-2024 Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 438.349780719 u
Formula C30H46O2
InChI InChI=1S/C30H46O2/c1-19(2)20(3)8-9-21(4)26-12-13-27-25-11-10-23-18-24(32-22(5)31)14-16-29(23,6)28(25)15-17-30(26,27)7/h8-11,19-21,24,26-28H,12-18H2,1-7H3/b9-8+/t20-,21+,24?,26+,27?,28?,29-,30+/m0/s1
InChIKey NGEVNHYPVVOXPB-RZGRTEBJSA-N
Molecular Weight 438.696 g/mol
Nominal Mass 438 u
Number of Peaks 301
SMILES C(C)(=O)OC1CC[C@@]2(C3CC[C@@]4([C@](CCC4C3=CC=C2C1)([C@@](\C=C\[C@](C)(C(C)C)[H])(C)[H])[H])C)C
SPLASH splash10-0pwl-8923000000-be9d4cedca47599b992a
Source File Reference LMCM-44502-578X
Source of Spectrum Prof. J. Seibl; ETH Zurich, Switzerland
Synonyms (2R,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-yl acetate (10R,13R,17R)-17-((2R,5R,E)-5,6-dimethylhept-3-en-2-yl)-10,13-dimethyl-2,3,4,9,10,11,12,13,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl acetate
Wiley ID 8_13749