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2.beta.-Hydroxy-11.alphas.-acetoxyhomoverrucosane
SpectraBase Compound ID L045Xk7h9MG
InChI InChI=1S/C22H36O3/c1-13(2)16-12-17(25-15(4)23)22(6)11-10-21(5)9-7-8-14(3)20(24)19(21)18(16)22/h13,16-19,24H,7-12H2,1-6H3/t16-,17+,18-,19+,21-,22+/m1/s1
InChIKey RPIIWRIMHUIUEX-HBDZGWBTSA-N
Mol Weight 348.5 g/mol
Molecular Formula C22H36O3
Exact Mass 348.266445 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8inhqljSHT2
Name 2.beta.-Hydroxy-11.alphas.-acetoxyhomoverrucosane
Alternate Name(s) (1R,3S,3aR,5aR,10aR,10bR)-10-hydroxy-1-isopropyl-3a,5a,9-trimethyl-1,2,3,3a,4,5,5a,6,7,8,10a,10b-dodecahydrocyclohepta[e]inden-3-yl acetate
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Formula C22H36O3
InChI InChI=1S/C22H36O3/c1-13(2)16-12-17(25-15(4)23)22(6)11-10-21(5)9-7-8-14(3)20(24)19(21)18(16)22/h13,16-19,24H,7-12H2,1-6H3/t16-,17+,18-,19+,21-,22+/m1/s1
InChIKey RPIIWRIMHUIUEX-HBDZGWBTSA-N
Molecular Weight 348.527 g/mol
SMILES OC=1[C@@]2([C@@]3([C@]([C@@](OC(=O)C)(C[C@@]3(C(C)C)[H])[H])(CC[C@]2(CCCC1C)C)C)[H])[H]
SPLASH splash10-009f-5291000000-df86dc572f59437cbb38
Source of Spectrum M-30-327-11
Wiley ID 1341016