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5-.alpha.-stigmasta-9(11),20(21)-dien-3.beta.-ol
SpectraBase Compound ID 13qka1RRM3u
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/h15,19,21-26,30H,4,7-14,16-18H2,1-3,5-6H3/t21-,22+,23+,24?,25-,26+,28+,29-/m1/s1
InChIKey XZRZQGBAEXZMIT-QXQNKIRHSA-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 AyJZHuDhmnW
Name 5-.alpha.-stigmasta-9(11),20(21)-dien-3.beta.-ol
Alternate Name(s) Holarrhenosterol (3S,5S,10S,13S,14S,17R)-17-((R)-5-ethyl-6-methylhept-1-en-2-yl)-10,13-dimethyl-2,3,4,5,6,7,8,10,12,13,14,15,16,17-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/h15,19,21-26,30H,4,7-14,16-18H2,1-3,5-6H3/t21-,22+,23+,24?,25-,26+,28+,29-/m1/s1
InChIKey XZRZQGBAEXZMIT-QXQNKIRHSA-N
Molecular Weight 412.702 g/mol
SMILES O[C@@]1([H])CC[C@@]2(C)[C@@](C1)([H])CCC1C2=CC[C@@]2([C@](CC[C@@]12[H])(C(CC[C@](C(C)C)(CC)[H])=C)[H])C
SPLASH splash10-0a4l-9542100000-4b235dd271f5ea9a9f08
Source of Spectrum Y1-40B-1283-1
Wiley ID 1744043