| SpectraBase Spectrum ID |
pbuIvEIWDO |
| Name |
massarigenin C |
| Appearance |
White crystals |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C11H12O5 |
| InChI |
InChI=1S/C11H12O5/c1-5-3-4-7(12)9(14)11(5)8(13)6(2)16-10(11)15/h3-5,8-9,13-14H,2H2,1H3/t5-,8+,9+,11-/m1/s1 |
| InChIKey |
MWZYYACVPIJBPD-SIWOTSRUSA-N |
| Instrument Name |
VG TRIO 1 quadrupole |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1021/np020342d |
| Molecular Weight |
224.212 g/mol |
| Optical Rotation |
[a]D24 = -123 (c = 0.34, CH3OH) |
| Reported Formula |
C11H12O5 |
| SMILES |
O[C@@]1([C@]2([C@](C(C=C[C@]2(C)[H])=O)(O)[H])C(OC1=C)=O)[H] |
| SPLASH |
splash10-001i-9100000000-ab9506bd3529abd80187 |
| Source of Spectrum |
G4-66-77-3 |
| Wiley ID |
1881189 |
