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9.alpha.-Acetoxy-2.beta.-hydroxyverrucosane
SpectraBase Compound ID 7lRizHjqx8f
InChI InChI=1S/C22H36O3/c1-12(2)15-7-8-21(5)16(25-13(3)23)11-20(4)9-14-10-22(14,6)19(24)18(20)17(15)21/h12,14-19,24H,7-11H2,1-6H3/t14-,15-,16+,17+,18-,19-,20+,21+,22+/m0/s1
InChIKey FGLRSMNBNHZFPG-IPOFYZOOSA-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 AofAjLWsLrZ
Name 9.alpha.-Acetoxy-2.beta.-hydroxyverrucosane
CAS Registry Number 67068-12-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H36O3
InChI InChI=1S/C22H36O3/c1-12(2)15-7-8-21(5)16(25-13(3)23)11-20(4)9-14-10-22(14,6)19(24)18(20)17(15)21/h12,14-19,24H,7-11H2,1-6H3/t14-,15-,16+,17+,18-,19-,20+,21+,22+/m0/s1
InChIKey FGLRSMNBNHZFPG-IPOFYZOOSA-N
Molecular Weight 348.527 g/mol
SMILES O[C@]1([C@]2([C@](C[C@@](OC(=O)C)([C@@]3([C@@]2([C@@](CC3)(C(C)C)[H])[H])C)[H])(C)C[C@@]2([C@]1(C2)C)[H])[H])[H]
SPLASH splash10-006x-6191000000-5ed7e19f548f6db79713
Source of Spectrum M-30-327-5
Synonyms Cyclopenta[a]cyclopropa[g]naphthalene-4,8-diol, tetradecahydro-3a,5a,7a-trimethyl-1-(1-methylethyl)-, 4-acetate, [1S-(1.alpha.,3a.beta.,4.alpha.,5a.alpha.,6a.alpha.,7a.alpha.,8.beta.,8a.beta.,8b.alpha.)]- (-)-9-Acetoxy-2-hydroxyverrucosane (-)-9.alpha.-acetoxy-2.beta.-hydroxyverrucosane (1S,3aS,4R,5aR,6aS,7aR,8S,8aR,8bR)-8-hydroxy-1-isopropyl-3a,5a,7a-trimethyltetradecahydrocyclopenta[a]cyclopropa[g]naphthalen-4-yl acetate
Wiley ID 1341013