| SpectraBase Spectrum ID |
3YBxvUD3iC |
| Name |
Nui-inoalide B |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C28H35ClO13 |
| InChI |
InChI=1S/C28H35ClO13/c1-12-25(35)42-19-9-17(10-29)7-8-18(38-13(2)30)26(6)21(24(28(12,19)36)41-16(5)33)27(11-37-27)22(34)20(39-14(3)31)23(26)40-15(4)32/h7-9,12,18-24,34,36H,10-11H2,1-6H3/b8-7-,17-9+/t12-,18-,19?,20-,21+,22+,23-,24-,26+,27?,28+/m0/s1 |
| InChIKey |
XBUVHXPEZZSOOX-RXXVNLAMSA-N |
| Molecular Weight |
615.028 g/mol |
| SMILES |
O[C@@]12[C@]([C@@]3([C@]([C@]([C@]([C@](C33OC3)(O)[H])(OC(=O)C)[H])(OC(=O)C)[H])([C@](\C=C/C(=C\C1OC([C@@]2(C)[H])=O)CCl)(OC(=O)C)[H])C)[H])(OC(=O)C)[H] |
| SPLASH |
splash10-0002-9000000000-db758fd56118ccaea60f |
| Source of Spectrum |
H1-42-329-7 |
| Synonyms |
(1'S,2'S,3'R,4'R,8'E,10'Z,12'S,13'S,14'R,15'S,16'R)-12',14',15'-tris(acetyloxy)-9'-(chloromethyl)-3',16'-dihydroxy-4',13'-dimethyl-5'-oxo-6'-oxaspiro[oxirane-2,17'-tricyclo[11.4.0.0(3,7)]heptadecane]-8',10'-dien-2'-yl acetate |
| Wiley ID |
757577 |
