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3'.beta.-[5.alpha.-Sigmast-7-ene-3.beta.-oxy]-dihydronepetalactone
SpectraBase Compound ID Cf5ZMWpYVUO
InChI InChI=1S/C39H64O3/c1-9-27(23(2)3)12-10-24(4)32-16-17-33-31-15-13-28-22-29(18-20-38(28,7)34(31)19-21-39(32,33)8)41-37-26(6)30-14-11-25(5)35(30)36(40)42-37/h15,23-30,32-35,37H,9-14,16-22H2,1-8H3/t24-,25+,26?,27?,28?,29+,30-,32?,33?,34?,35-,37-,38+,39-/m1/s1
InChIKey HQVBFDJIAFDECK-JLIJCMMBSA-N
Mol Weight 580.9 g/mol
Molecular Formula C39H64O3
Exact Mass 580.485546 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8fef9cuPPgf
Name 3'.beta.-[5.alpha.-Sigmast-7-ene-3.beta.-oxy]-dihydronepetalactone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C39H64O3
InChI InChI=1S/C39H64O3/c1-9-27(23(2)3)12-10-24(4)32-16-17-33-31-15-13-28-22-29(18-20-38(28,7)34(31)19-21-39(32,33)8)41-37-26(6)30-14-11-25(5)35(30)36(40)42-37/h15,23-30,32-35,37H,9-14,16-22H2,1-8H3/t24-,25+,26?,27?,28?,29+,30-,32?,33?,34?,35-,37-,38+,39-/m1/s1
InChIKey HQVBFDJIAFDECK-JLIJCMMBSA-N
Molecular Weight 580.938 g/mol
SMILES C=12C3[C@](C([C@@](CCC(C(C)C)CC)(C)[H])CC3)(C)CCC2[C@]2(CC[C@](O[C@@]3(OC(=O)[C@]4([C@@](C3C)(CC[C@@]4(C)[H])[H])[H])[H])(CC2CC1)[H])C
SPLASH splash10-000t-5639000000-1218aa42c32bc9e216a4
Source of Spectrum G4-63-890-2
Wiley ID 1608494