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17.alpha.-Methyl-1,3-seco-2-nor-5.alpha.-androstane-1,3,17.alpha.-triol 3-acetate
SpectraBase Compound ID Jge3C5i2phW
InChI InChI=1S/C21H36O4/c1-14(23)25-12-9-15-5-6-16-17(19(15,2)13-22)7-10-20(3)18(16)8-11-21(20,4)24/h15-18,22,24H,5-13H2,1-4H3/t15-,16-,17+,18+,19+,20+,21+/m1/s1
InChIKey MKHDJFKSVRDXPQ-OGNRNXDYSA-N
Mol Weight 352.5 g/mol
Molecular Formula C21H36O4
Exact Mass 352.26136 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4lXjIQo6AIS
Name 17.alpha.-Methyl-1,3-seco-2-nor-5.alpha.-androstane-1,3,17.alpha.-triol 3-acetate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H36O4
InChI InChI=1S/C21H36O4/c1-14(23)25-12-9-15-5-6-16-17(19(15,2)13-22)7-10-20(3)18(16)8-11-21(20,4)24/h15-18,22,24H,5-13H2,1-4H3/t15-,16-,17+,18+,19+,20+,21+/m1/s1
InChIKey MKHDJFKSVRDXPQ-OGNRNXDYSA-N
Molecular Weight 352.515 g/mol
SMILES OC[C@]1([C@](CC[C@]2([C@]3([C@@]([C@](CC3)(O)C)(CC[C@]12[H])C)[H])[H])(CCOC(=O)C)[H])C
SPLASH splash10-0ar3-0090000000-22e6266b3c868bb21505
Source of Spectrum KD-14-2784-9
Synonyms 2-[(3S,3aS,5aS,6S,7R,9aR,9bS)-3-hydroxy-6-(hydroxymethyl)-3,3a,6-trimethyldodecahydro-1H-cyclopenta[a]naphthalen-7-yl]ethyl acetate
Wiley ID 1636359