| SpectraBase Spectrum ID |
sxXxWesT2 |
| Name |
(1R,4R,5R,16R,22R)-4,5,16,23,23-pentamethyl-9-(propan-2-yl)-27-oxa-11,14-diazaheptacyclo[20.3.2.0(1,21).0(4,20).0(5,17).0(8,16).0(10,15)]heptacosa-8,10(15),11,13-tetraene |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C32H46N2O |
| InChI |
InChI=1S/C32H46N2O/c1-19(2)23-20-10-11-30(6)22(31(20,7)26-25(23)33-16-17-34-26)9-8-21-24-27-28(3,4)12-14-32(24,18-35-27)15-13-29(21,30)5/h16-17,19,21-22,24,27H,8-15,18H2,1-7H3/t21?,22?,24?,27-,29-,30-,31+,32-/m1/s1 |
| InChIKey |
HBTIGJFVXDFPLA-KZGZQIKISA-N |
| Instrument Name |
Finnigan MAT INCOS 50 |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1021/np060436d |
| Molecular Weight |
474.733 g/mol |
| Optical Rotation |
[a]D25 = -12 (c = 0.37) |
| SMILES |
c12nccnc1[C@@]1(C3CCC4C5[C@@]6(CC[C@]4([C@@]3(CCC1=C2C(C)C)C)C)CCC([C@@]5(OC6)[H])(C)C)C |
| SPLASH |
splash10-0079-0820900000-41e1b158a766de0fbfb7 |
| Source of Spectrum |
G4-70-531-17 |
| Wiley ID |
1874455 |
![(1R,4R,5R,16R,22R)-4,5,16,23,23-pentamethyl-9-(propan-2-yl)-27-oxa-11,14-diazaheptacyclo[20.3.2.0(1,21).0(4,20).0(5,17).0(8,16).0(10,15)]heptacosa-8,10(15),11,13-tetraene](/api/spectrum/sxXxWesT2/structure.png?h=300&w=458 "(1R,4R,5R,16R,22R)-4,5,16,23,23-pentamethyl-9-(propan-2-yl)-27-oxa-11,14-diazaheptacyclo[20.3.2.0(1,21).0(4,20).0(5,17).0(8,16).0(10,15)]heptacosa-8,10(15),11,13-tetraene")
