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3.alpha.-methoxy-11-oxa-C-homo-5.beta.-pregnan-12-0ls
SpectraBase Compound ID 5md13AtIB0B
InChI InChI=1S/C22H38O3/c1-5-14-7-9-18-17-8-6-15-12-16(24-4)10-11-21(15,2)19(17)13-25-20(23)22(14,18)3/h14-20,23H,5-13H2,1-4H3/t14?,15-,16-,17?,18?,19?,20?,21?,22?/m1/s1
InChIKey LLTLHQAUAFBLPE-BUNIJSGNSA-N
Mol Weight 350.5 g/mol
Molecular Formula C22H38O3
Exact Mass 350.282095 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AzXyADANMiu
Name 3.alpha.-methoxy-11-oxa-C-homo-5.beta.-pregnan-12-0ls
CAS Registry Number 125409-24-7
Comments Less than 3 mono-isotopic peaks
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Formula C22H38O3
InChI InChI=1S/C22H38O3/c1-5-14-7-9-18-17-8-6-15-12-16(24-4)10-11-21(15,2)19(17)13-25-20(23)22(14,18)3/h14-20,23H,5-13H2,1-4H3/t14?,15-,16-,17?,18?,19?,20?,21?,22?/m1/s1
InChIKey LLTLHQAUAFBLPE-BUNIJSGNSA-N
Molecular Weight 350.543 g/mol
SMILES OC1C2(C(C3C(C4(CC[C@](C[C@]4(CC3)[H])(OC)[H])C)CO1)CCC2CC)C
SPLASH splash10-001i-0009000000-9b77c6f1ca7a804f870a
Source of Spectrum J-55-2175-36
Synonyms (2R,12aR)-8-ethyl-2-methoxy-4a,7a-dimethylhexadecahydro-1H-cyclopenta[c]naphtho[2,1-e]oxepin-7-ol
Wiley ID 1342259