| SpectraBase Spectrum ID |
LNZ0RA2kLz4 |
| Name |
Nui-inoalide A |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C28H37ClO12 |
| InChI |
InChI=1S/C28H37ClO12/c1-12-8-9-19(38-15(4)31)26(7)21(27(11-36-27)10-18(37-14(3)30)22(26)39-16(5)32)24(40-17(6)33)28(35)13(2)25(34)41-23(28)20(12)29/h13,18-24,35H,1,8-11H2,2-7H3/t13-,18-,19-,20-,21+,22-,23-,24+,26+,27-,28-/m0/s1 |
| InChIKey |
QDDOPJGKEITRDJ-XPAKLXMGSA-N |
| Molecular Weight |
601.045 g/mol |
| SMILES |
O[C@@]12[C@@](OC([C@@]2(C)[H])=O)([C@](C(CC[C@@]([C@@]2([C@]([C@]3(OC3)C[C@](OC(=O)C)([C@@]2(OC(=O)C)[H])[H])([C@]1(OC(=O)C)[H])[H])C)(OC(=O)C)[H])=C)(Cl)[H])[H] |
| SPLASH |
splash10-00di-0900000000-382452373ab720d0b35d |
| Source of Spectrum |
H1-42-329-6 |
| Synonyms |
(1'S,2R,2'R,3'R,4'R,7'R,8'S,12'S,13'S,14'R,15'S)-12',14',15'-tris(acetyloxy)-8'-chloro-3'-hydroxy-4',13'-dimethyl-9'-methylidene-5'-oxo-6'-oxaspiro[oxirane-2,17'-tricyclo[11.4.0.0(3,7)]heptadecane]-2'-yl acetate |
| Wiley ID |
757578 |
