| SpectraBase Spectrum ID |
Dy7gCB3rEST |
| Name |
(2S,5R,7S,9S,10S,12R)-9-[(S)-1-Ethyl-2-hydroxyethyl]-2-[(2R,5R,6S)-5-ethyl-5-hydroxy-6-methyloxan-2-yl]-2,10,12-trimethyl-1,6,8-trioxadispiro[4.1.5.3]pentadec-13-ene-15-one |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
480.308703750 u |
| Formula |
C27H44O7 |
| InChI |
InChI=1S/C27H44O7/c1-7-20(16-28)23-17(3)15-18(4)26(32-23)12-9-21(29)27(34-26)14-13-24(6,33-27)22-10-11-25(30,8-2)19(5)31-22/h9,12,17-20,22-23,28,30H,7-8,10-11,13-16H2,1-6H3/t17-,18+,19-,20-,22+,23-,24-,25+,26+,27+/m0/s1 |
| InChIKey |
AMCZUHFVDBXBAU-VRYPPRGYSA-N |
| Molecular Weight |
480.642 g/mol |
| SMILES |
[C@]12(O[C@@]3(O[C@@]([C@@]4(O[C@@](C)([C@@](CC4)(O)CC)[H])[H])(C)CC3)C(C=C1)=O)O[C@]([C@](CO)(CC)[H])([C@](C[C@]2(C)[H])(C)[H])[H] |
![(2S,5R,7S,9S,10S,12R)-9-[(S)-1-Ethyl-2-hydroxyethyl]-2-[(2R,5R,6S)-5-ethyl-5-hydroxy-6-methyloxan-2-yl]-2,10,12-trimethyl-1,6,8-trioxadispiro[4.1.5.3]pentadec-13-ene-15-one](/api/spectrum/Dy7gCB3rEST/structure.png?h=300&w=458 "(2S,5R,7S,9S,10S,12R)-9-[(S)-1-Ethyl-2-hydroxyethyl]-2-[(2R,5R,6S)-5-ethyl-5-hydroxy-6-methyloxan-2-yl]-2,10,12-trimethyl-1,6,8-trioxadispiro[4.1.5.3]pentadec-13-ene-15-one")
