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A'-Neogammacer-22(29)-ene
SpectraBase Compound ID 1vbPZpEaLlp
InChI InChI=1S/C30H50/c1-20(2)21-12-17-27(5)22(21)13-18-29(7)24(27)10-11-25-28(6)16-9-15-26(3,4)23(28)14-19-30(25,29)8/h21-25H,1,9-19H2,2-8H3
InChIKey HHXYJYBYNZMZKX-UHFFFAOYSA-N
Mol Weight 410.7 g/mol
Molecular Formula C30H50
Exact Mass 410.391252 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 67G0mehtLjp
Name A'-Neogammacer-22(29)-ene
CAS Registry Number 1615-91-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C30H50
InChI InChI=1S/C30H50/c1-20(2)21-12-17-27(5)22(21)13-18-29(7)24(27)10-11-25-28(6)16-9-15-26(3,4)23(28)14-19-30(25,29)8/h21-25H,1,9-19H2,2-8H3
InChIKey HHXYJYBYNZMZKX-UHFFFAOYSA-N
Molecular Weight 410.730 g/mol
SMILES C12(C3(C(C4(CCCC(C4CC3)(C)C)C)CCC1C1(CCC(C1CC2)C(=C)C)C)C)C
SPLASH splash10-0aov-5950000000-50491c983a54174c4085
Source of Spectrum Va-0-0-0
Synonyms 3-Isopropenyl-5a,5b,8,8,11a,13b-hexamethylicosahydro-1H-cyclopenta[a]chrysene 22(29)-Hopene 3-isopropenyl-5a,5b,8,8,11a,13b-hexamethyl-1,2,3,3a,4,5,6,7,7a,9,10,11,11b,12,13,13a-hexadecahydrocyclopenta[a]chrysene 5a,5b,8,8,11a,13b-hexamethyl-3-(1-methylethenyl)-1,2,3,3a,4,5,6,7,7a,9,10,11,11b,12,13,13a-hexadecahydrocyclopenta[a]chrysene 5a,5b,8,8,11a,13b-hexamethyl-3-prop-1-en-2-yl-1,2,3,3a,4,5,6,7,7a,9,10,11,11b,12,13,13a-hexadecahydrocyclopenta[a]chrysene Diploptene Hop-22(29)-ene Hopene Hopene b
Wiley ID 739639