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17-BETA-H-HOP-21-ENE
SpectraBase Compound ID 6I7Svj4dGRB
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/h22-25H,9-19H2,1-8H3/t22-,23-,24+,25+,27-,28-,29+,30+/m0/s1
InChIKey CBZFLMNNXKRPHN-DRTOFSRZSA-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 4SimiIch8MZ
Name (3aR,5aR,5bR,7aS,11aS,11bR,13aR,13bS)-3-isopropylidene-5a,5b,8,8,11a,13b-hexamethyl-2,3a,4,5,6,7,7a,9,10,11,11b,12,13,13a-tetradecahydro-1H-cyclopenta[a]chrysene
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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/h22-25H,9-19H2,1-8H3/t22-,23-,24+,25+,27-,28-,29+,30+/m0/s1
InChIKey CBZFLMNNXKRPHN-DRTOFSRZSA-N
Molecular Weight 410.730 g/mol
SMILES [C@@]12([C@]3([C@]([C@]4(CCC([C@@]4(CC3)[H])=C(C)C)C)([H])CC[C@@]1([C@]1(CCCC([C@@]1(CC2)[H])(C)C)C)[H])C)C
SPLASH splash10-000l-0902100000-41e5d53214c83cd59003
Source of Spectrum E1-40-1684-4
Synonyms (3aR,5aR,5bR,7aS,11aS,11bR,13aR,13bS)-5a,5b,8,8,11a,13b-hexamethyl-3-propan-2-ylidene-2,3a,4,5,6,7,7a,9,10,11,11b,12,13,13a-tetradecahydro-1H-cyclopenta[a]chrysene
Wiley ID 1519444