| SpectraBase Spectrum ID |
H3T57HBmSvH |
| Name |
(20R*,22R*)-N-methyl-5.alpha.,17.beta.,25.alpha.-veratraman-3.beta.,6.beta.,23.beta.-triol |
| Alternate Name(s) |
Puqienine A |
| Appearance |
Colorless needles |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C28H47NO3 |
| InChI |
InChI=1S/C28H47NO3/c1-15-10-26(32)27(29(5)14-15)17(3)19-6-7-20-21(16(19)2)12-23-22(20)13-25(31)24-11-18(30)8-9-28(23,24)4/h15,17-20,22-27,30-32H,6-14H2,1-5H3/t15-,17-,18+,19+,20-,22+,23+,24-,25-,26-,27-,28-/m1/s1 |
| InChIKey |
GRTDQRFJWHCECY-SAYBQXENSA-N |
| Instrument Name |
JEOL DX-300 UGZAB-HS |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1021/np0497649 |
| Molecular Weight |
445.688 g/mol |
| Optical Rotation |
[a]D20 = -31.1 (c = 0.2, MeOH) |
| Reported Formula |
C28H47NO3 |
| SMILES |
O[C@]1(CC[C@@]2([C@@]3([C@@](C[C@]([C@]2(C1)[H])(O)[H])([C@]1(C(C3)=C([C@](CC1)([C@@](C)([C@]1(N(C[C@@](C[C@]1(O)[H])(C)[H])C)[H])[H])[H])C)[H])[H])[H])C)[H] |
| SPLASH |
splash10-004i-0900000000-364fef9106609a517640 |
| Source of Spectrum |
G4-68-267-1 |
| Wiley ID |
1881966 |
