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.alpha.-Spinasterol
SpectraBase Compound ID 3UYHZJtTMj4
InChI InChI=1S/C29H48O/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-18-23(30)14-16-28(22,5)27(24)15-17-29(25,26)6/h8-9,11,19-23,25-27,30H,7,10,12-18H2,1-6H3/b9-8+/t20-,21+,22+,23+,25-,26+,27+,28+,29-/m1/s1
InChIKey JZVFJDZBLUFKCA-INYURWPISA-N
Mol Weight 412.7 g/mol
Molecular Formula C29H48O
Exact Mass 412.370516 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HQKLzl8rB0n
Name Chondrillasterol
Alternate Name(s) (3S,5S,9R,10S,13R,14R,17R)-17-((2R,5R,E)-5-ethyl-6-methylhept-3-en-2-yl)-10,13-dimethyl-2,3,4,5,6,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol
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Formula C29H48O
InChI InChI=1S/C29H48O/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-18-23(30)14-16-28(22,5)27(24)15-17-29(25,26)6/h8-9,11,19-23,25-27,30H,7,10,12-18H2,1-6H3/b9-8+/t20-,21+,22+,23+,25-,26+,27+,28+,29-/m1/s1
InChIKey JZVFJDZBLUFKCA-INYURWPISA-N
Molecular Weight 412.702 g/mol
SMILES O[C@@]1(C[C@]2([C@](CC1)([C@@]1(C(=CC2)[C@]2([C@](CC1)([C@](CC2)([C@](C)(\C=C\[C@@](C(C)C)(CC)[H])[H])[H])C)[H])[H])C)[H])[H]
SPLASH splash10-00di-0092100000-481aa74b575facdecffc
Source of Spectrum SFA-97-2089-Table4,entry9
Wiley ID 1813773