| SpectraBase Spectrum ID |
5xnwNupb5U7 |
| Name |
21,23:24,25-diepoxy-3-O-isovaleroyl-14,18-cycloapotirucalla-3.beta.,7.alpha.,21-triol |
| Appearance |
needles |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C35H56O6 |
| InChI |
InChI=1S/C35H56O6/c1-19(2)15-27(37)40-26-11-12-32(7)23-10-13-34-18-35(34,33(23,8)25(36)17-24(32)30(26,3)4)14-9-21(34)20-16-22(39-29(20)38)28-31(5,6)41-28/h19-26,28-29,36,38H,9-18H2,1-8H3/t20-,21-,22+,23+,24-,25+,26-,28-,29?,32+,33-,34+,35+/m0/s1 |
| InChIKey |
LEZNRZJCVJRZHO-IXTOMSOUSA-N |
| Instrument Name |
AMD 402 |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1021/np020458+ |
| Molecular Weight |
572.827 g/mol |
| Optical Rotation |
[a]D22 = +11.0 (c = 1.00, EtOH) |
| SMILES |
OC1[C@]([C@@]2(CC[C@]34[C@]2(CC[C@]2([C@]3([C@@](C[C@]3(C([C@](CC[C@]23C)(OC(CC(C)C)=O)[H])(C)C)[H])(O)[H])C)[H])C4)[H])(C[C@@](O1)([C@]1(C(C)(C)O1)[H])[H])[H] |
| SPLASH |
splash10-0zg0-9042000000-de9a17e145f7f5f84486 |
| Source of Spectrum |
G4-66-677-1 |
| Synonyms |
3-epi-Skimmiarepin A |
| Thin-Layer Chromatography |
Rf = 0.26 (chloroform-acetone, 9:1) |
| Wiley ID |
1881382 |
