| SpectraBase Compound ID | 9LFR19T9RK3 |
|---|---|
| InChI | InChI=1S/C33H47ClO10/c1-20-15-23(13-14-39-19-22-7-9-24(37-5)10-8-22)31-32(38-6)28(43-33(3,4)44-31)17-29(35)40-21(2)16-27-26(41-27)12-11-25(20)42-30(36)18-34/h7-12,20-21,23,25-28,31-32H,13-19H2,1-6H3/b12-11+/t20-,21-,23+,25+,26+,27+,28-,31+,32+/m1/s1 |
| InChIKey | ARIBPJCTMDSIIK-DKPCXNCVSA-N |
| Mol Weight | 639.2 g/mol |
| Molecular Formula | C33H47ClO10 |
| Exact Mass | 638.285775 g/mol |
Mass Spectrum (GC)
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 8k0Qd6LXXmR |
|---|---|
| Name | 9R-O-Chloroacetyl-6"-dihydro-12S,13R-epoxy-3,5-isopropylidene-6"-O-(4-methoxybenzyl)leuconolide A1 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C33H47ClO10 |
| InChI | InChI=1S/C33H47ClO10/c1-20-15-23(13-14-39-19-22-7-9-24(37-5)10-8-22)31-32(38-6)28(43-33(3,4)44-31)17-29(35)40-21(2)16-27-26(41-27)12-11-25(20)42-30(36)18-34/h7-12,20-21,23,25-28,31-32H,13-19H2,1-6H3/b12-11+/t20-,21-,23+,25+,26+,27+,28-,31+,32+/m1/s1 |
| InChIKey | ARIBPJCTMDSIIK-DKPCXNCVSA-N |
| Molecular Weight | 639.182 g/mol |
| SMILES | [C@]12(O[C@]1(\C=C\[C@@]([C@@](C[C@@]([C@]1([C@]([C@@](CC(O[C@@](C2)(C)[H])=O)(OC(O1)(C)C)[H])(OC)[H])[H])(CCOCc1ccc(cc1)OC)[H])(C)[H])(OC(=O)CCl)[H])[H])[H] |
| SPLASH | splash10-00di-0900000000-9f88ef52bc4133ca3ac3 |
| Source of Spectrum | E1-39-2827-25 |
| Wiley ID | 1519189 |