| SpectraBase Spectrum ID |
1wmSQrhJIhE |
| Name |
(3.alpha.,4.alpha.,11.beta.,14.beta.,21.alpha.,22.alpha.)-hexacyclo[22.4.0.0(3,22).0(4,12).0(11,14).0(13.21)]octacosa-12,24,26,28(1)-tetraene-2,23-dione |
| CAS Registry Number |
129731-95-9 |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C28H34O2 |
| InChI |
InChI=1S/C28H34O2/c29-27-19-13-9-10-14-20(19)28(30)26-22-16-8-4-2-6-12-18-17-11-5-1-3-7-15-21(25(26)27)23(17)24(18)22/h9-10,13-14,17-18,21-22,25-26H,1-8,11-12,15-16H2/t17-,18+,21+,22-,25+,26- |
| InChIKey |
YRPSEPOHIMBAOD-PCCOWNRPSA-N |
| Molecular Weight |
402.578 g/mol |
| SMILES |
C12=C3[C@]4(CCCCCC[C@]3([C@]2(CCCCCC[C@@]1([C@]1([C@@]4(C(=O)c2c(C1=O)cccc2)[H])[H])[H])[H])[H])[H] |
| SPLASH |
splash10-0udi-0000900000-2ae1105e1cb2e870d439 |
| Source of Spectrum |
K-124-152-4 |
| Synonyms |
(1R,2S,9S,12R,19R,20S)-hexacyclo[18.8.0.0(2,10).0(9,12).0(11,19).0(22,27)]octacosa-10,22,24,26-tetraene-21,28-dione |
| Wiley ID |
1370716 |
![(3.alpha.,4.alpha.,11.beta.,14.beta.,21.alpha.,22.alpha.)-hexacyclo[22.4.0.0(3,22).0(4,12).0(11,14).0(13.21)]octacosa-12,24,26,28(1)-tetraene-2,23-dione](/api/spectrum/1wmSQrhJIhE/structure.png?h=300&w=458 "(3.alpha.,4.alpha.,11.beta.,14.beta.,21.alpha.,22.alpha.)-hexacyclo[22.4.0.0(3,22).0(4,12).0(11,14).0(13.21)]octacosa-12,24,26,28(1)-tetraene-2,23-dione")
