| SpectraBase Spectrum ID |
GE6JaZ0OpTa |
| Name |
Penicimarin A |
| Appearance |
Colorless, amorphous powder |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C11H12O5 |
| InChI |
InChI=1S/C11H12O5/c1-5(12)8-4-16-11(15)10-7(8)2-6(13)3-9(10)14/h2-3,5,8,12-14H,4H2,1H3/t5-,8+/m0/s1 |
| InChIKey |
SPXGRHRWLJRRMZ-YLWLKBPMSA-N |
| Instrument Name |
Thermo DSQ |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1021/np3007556 |
| Molecular Weight |
224.212 g/mol |
| Optical Rotation |
[a]D25 = -36 (c = 0.15, MeOH) |
| Reported Formula |
C11H12O5 |
| SMILES |
Oc1cc(c2C(OC[C@]([C@@](O)(C)[H])(c2c1)[H])=O)O |
| SPLASH |
splash10-03di-3900000000-faa2e78f5de6163743d5 |
| Source of Spectrum |
G4-76-SM10-1 |
| Wiley ID |
1854904 |
