| SpectraBase Spectrum ID |
BtQoyPqkMYy |
| Name |
2-[(1S,2S,4R,5R,10S)-5-ethenyl-18,21-dioxa-7,17-diazapentacyclo[8.7.4.0(1,10).0(2,7).0(11,16)]henicosa-11(16),12,14-trien-4-yl]ethan-1-ol |
| Appearance |
Colorless prisms |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C21H28N2O3 |
| InChI |
InChI=1S/C21H28N2O3/c1-2-15-14-23-9-8-20-17-5-3-4-6-18(17)22-21(20,26-12-11-25-20)19(23)13-16(15)7-10-24/h2-6,15-16,19,22,24H,1,7-14H2/t15-,16-,19-,20-,21-/m0/s1 |
| InChIKey |
YERULOJGOAFRBP-NHUSPQTBSA-N |
| Instrument Name |
JEOL JMS GC-mate |
| Ionization Type |
EI |
| Molecular Weight |
356.466 g/mol |
| Optical Rotation |
[a]D24 = -81 (c 1.0, CHCl3) |
| SMILES |
OCC[C@@]1([C@](CN2[C@]([C@@]34[C@](CC2)(c2c(N4)cccc2)OCCO3)(C1)[H])(C=C)[H])[H] |
| SPLASH |
splash10-0aor-0907000000-37be0b935b330e81ea8c |
| Source of Spectrum |
US8247428B2 |
| Wiley ID |
1845321 |
