| SpectraBase Spectrum ID |
Lfqiq3DgNHX |
| Name |
16-Amino-17-methyl-16,17-seco-estra-1,3,5(10)-triene-3,17-diol |
| Alternate Name(s) |
(4bS,7S,8aR)-8-(2-aminoethyl)-7-(1-hydroxyethyl)-7-methyl-4b,5,6,7,8,8a,9,10-octahydro-2-phenanthrenol |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C19H29NO2 |
| InChI |
InChI=1S/C19H29NO2/c1-12(21)19(2)9-7-16-15-6-4-14(22)11-13(15)3-5-17(16)18(19)8-10-20/h4,6,11-12,16-18,21-22H,3,5,7-10,20H2,1-2H3/t12?,16-,17-,18?,19-/m1/s1 |
| InChIKey |
LLGVULJZFPGDNO-BTBDGZHKSA-N |
| Molecular Weight |
303.446 g/mol |
| SMILES |
Oc1ccc2c(CC[C@]3(C([C@@](C(O)C)(CC[C@]23[H])C)CCN)[H])c1 |
| SPLASH |
splash10-0a4i-9060000000-f6fb04dd9115afaa50d8 |
| Source of Spectrum |
Y2-70-66-6 |
| Wiley ID |
1587463 |
