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(1E,3R,4aS,12aR)-3-Isopropenyl-8-methoxy-12a-methyl-3,4,4a,5,6,11,12,12a-octahydro-1(2H)-chrysenone oxime
SpectraBase Compound ID HaOCUkzzTcV
InChI InChI=1S/C23H29NO2/c1-14(2)16-12-21-20-7-5-15-11-17(26-4)6-8-18(15)19(20)9-10-23(21,3)22(13-16)24-25/h6,8,11,16,21,25H,1,5,7,9-10,12-13H2,2-4H3/b24-22+/t16-,21+,23-/m1/s1
InChIKey AZCLQBCVFBYTHR-YBICXBMOSA-N
Mol Weight 351.49 g/mol
Molecular Formula C23H29NO2
Exact Mass 351.219829 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Gd1Syh6lTDl
Name (1E,3R,4aS,12aR)-3-Isopropenyl-8-methoxy-12a-methyl-3,4,4a,5,6,11,12,12a-octahydro-1(2H)-chrysenone oxime
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Formula C23H29NO2
InChI InChI=1S/C23H29NO2/c1-14(2)16-12-21-20-7-5-15-11-17(26-4)6-8-18(15)19(20)9-10-23(21,3)22(13-16)24-25/h6,8,11,16,21,25H,1,5,7,9-10,12-13H2,2-4H3/b24-22+/t16-,21+,23-/m1/s1
InChIKey AZCLQBCVFBYTHR-YBICXBMOSA-N
Molecular Weight 351.490 g/mol
SMILES O\N=C\1[C@]2([C@](C3=C(c4ccc(cc4CC3)OC)CC2)(C[C@](C1)(C(=C)C)[H])[H])C
SPLASH splash10-0udi-0019000000-3bfb6652bf068ecf626c
Source of Spectrum F-59-4291-12
Synonyms (3R,4aS,12aR)-8-methoxy-12a-methyl-3-(1-methylethenyl)-2,3,4,4a,5,6,11,12-octahydrochrysen-1-one oxime (NE)-N-[(3R,4aS,12aR)-8-methoxy-12a-methyl-3-prop-1-en-2-yl-2,3,4,4a,5,6,11,12-octahydrochrysen-1-ylidene]hydroxylamine
Wiley ID 1678108