| SpectraBase Spectrum ID |
K2pHty2Yiyw |
| Name |
Methyl-13C Vitamin K1 |
| Alternate Name(s) |
2-(methyl-¹³C)-3-((7R,11R,E)-3,7,11,15-tetramethylhexadec-2-en-1-yl)naphthalene-1,4-dione |
| Comments |
Original formula: C30[13C]H46O2 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C31H46O2 |
| InChI |
InChI=1S/C31H46O2/c1-22(2)12-9-13-23(3)14-10-15-24(4)16-11-17-25(5)20-21-27-26(6)30(32)28-18-7-8-19-29(28)31(27)33/h7-8,18-20,22-24H,9-17,21H2,1-6H3/b25-20+/t23-,24-/m1/s1/i6+1 |
| InChIKey |
MBWXNTAXLNYFJB-SVQYDACMSA-N |
| Molecular Weight |
451.699 g/mol |
| SMILES |
[13CH3]C=1C(c2ccccc2C(C1C\C=C\(CCC[C@@](CCC[C@@](CCCC(C)C)(C)[H])(C)[H])C)=O)=O |
| SPLASH |
splash10-0udi-0650900000-7498ca4a44e1441022b5 |
| Source of Spectrum |
RCM-20-1897-Fig4b |
| Wiley ID |
1820326 |
