| SpectraBase Spectrum ID |
7zUAViPtJAV |
| Name |
(22E)-3-(methoxymethoxy)ergosta-5,7,22-triene, 13C isotopic labeled |
| Alternate Name(s) |
[¹³C]-3-(methoxymethoxy)ergosta-5,7,22-triene |
| Comments |
Original formula: C29[13C]H48O2 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C30H48O2 |
| InChI |
InChI=1S/C30H48O2/c1-20(2)21(3)8-9-22(4)26-12-13-27-25-11-10-23-18-24(32-19-31-7)14-16-29(23,5)28(25)15-17-30(26,27)6/h8-11,20-22,24,26-28H,12-19H2,1-7H3/b9-8+/i1+1 |
| InChIKey |
VATACWFFCWWCHC-IJNFYJEPSA-N |
| Molecular Weight |
441.704 g/mol |
| SMILES |
[13CH3]C(C(\C=C\C(C1C2(CCC3C4(CCC(CC4=CC=C3C2CC1)OCOC)C)C)C)C)C |
| SPLASH |
splash10-004i-9637000000-906603169c99da7ff6e2 |
| Wiley ID |
1477904 |
