| SpectraBase Spectrum ID |
6xJ8OFrhJj1 |
| Name |
(2S,3S,4S,6R,7R,9R,10R,11R,14S)-3-(3-Hydroxy-3-methylbutanoyloxy)-9-(2-methylbutanoyloxy)-14-(erythro-2-methyl-3-hydroxybutanoyloxy)-14,15-epoxytrix-5(15)-en-4,12-olide |
| Appearance |
gum |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C30H42O11 |
| InChI |
InChI=1S/C30H42O11/c1-8-13(2)24(33)38-19-9-16-26(41-25(34)14(3)15(4)31)37-12-18-22-21(39-20(32)11-28(5,6)36)17-10-30(16,18)23(19)29(17,7)27(35)40-22/h12-17,19,21-23,26,31,36H,8-11H2,1-7H3/t13?,14-,15-,16-,17-,19+,21-,22-,23-,26-,29-,30+/m0/s1 |
| InChIKey |
MMIRPMYKPMCCEM-HIISJPQKSA-N |
| Instrument Name |
JEOL JMS SX 102/Hewlett-Packard 5989A |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1021/np010191z |
| Molecular Weight |
578.655 g/mol |
| Optical Rotation |
[a] = -48.7 (589 nm), -51.3 (578 nm), -56.4 (546 nm), -89.7 (436 nm), -128.2 (365 nm) (c = 0.39, CHCl3) |
| Reported Formula |
C30H42O11 |
| SMILES |
OC(CC(O[C@]1([C@@]2(C[C@@]34C=5[C@@]1(OC([C@@]2([C@@]3([C@@](C[C@]4([C@](OC([C@]([C@@](O)(C)[H])(C)[H])=O)(OC5)[H])[H])(OC(=O)C(C)CC)[H])[H])C)=O)[H])[H])[H])=O)(C)C |
| SPLASH |
splash10-03di-4019000000-964b374d93e02baf6e90 |
| Source of Spectrum |
G4-64-1330-15 |
| Wiley ID |
1882852 |
