| SpectraBase Spectrum ID |
G0hUq1or4CD |
| Name |
(20R,22R,23S)-5.beta.,6.beta.-epoxy-4.beta.,12.beta.,17.beta.,22-tetrahydroxy-1-oxo-12,23-cycloergosta-2,24-dien-26,23-olide |
| Alternate Name(s) |
Jaborosalactone 12 |
| Appearance |
amorphous solid |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C28H36O8 |
| InChI |
InChI=1S/C28H36O8/c1-12-13(2)27(36-22(12)32)21(31)14(3)25(33)9-8-16-15-10-20-28(35-20)19(30)7-6-18(29)23(28,4)17(15)11-26(27,34)24(16,25)5/h6-7,14-17,19-21,30-31,33-34H,8-11H2,1-5H3/t14-,15+,16+,17+,19+,20-,21-,23+,24+,25-,26-,27+,28-/m1/s1 |
| InChIKey |
JVXBFGLGHWILRJ-JOVLVAPZSA-N |
| Instrument Name |
VG Trio-2 |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1021/np0200109 |
| Molecular Weight |
500.588 g/mol |
| Optical Rotation |
[a]D25 = -10.8 (c = 0.04, MeOH) |
| Reported Formula |
C28H36O8 |
| SMILES |
O[C@]1(C=CC([C@]2([C@]11[C@@](C[C@@]3([C@@]2(C[C@]2([C@]4([C@]3(CC[C@]4([C@@]([C@]([C@@]22C(=C(C(O2)=O)C)C)(O)[H])(C)[H])O)[H])C)O)[H])[H])(O1)[H])C)=O)[H] |
| SPLASH |
splash10-0006-9300000000-4dcad880a669eb558702 |
| Source of Spectrum |
G4-65-1051-4 |
| Wiley ID |
1883772 |
