![2.beta.-Acetoxy-4.alpha.-chloro-1.beta.,8-bis[(angeloyl)oxy]-3.beta.,10-dihydroxy-11-methoxybisabol-7(14)-ene](/api/spectrum/6xevaLJy3uK/structure.png?h=300&w=458 "2.beta.-Acetoxy-4.alpha.-chloro-1.beta.,8-bis[(angeloyl)oxy]-3.beta.,10-dihydroxy-11-methoxybisabol-7(14)-ene")
| SpectraBase Compound ID | 4U52gXCvvga |
|---|---|
| InChI | InChI=1S/C28H43ClO9/c1-11-15(3)25(32)37-20(14-22(31)27(7,8)35-10)17(5)19-13-21(29)28(9,34)24(36-18(6)30)23(19)38-26(33)16(4)12-2/h11-12,19-24,31,34H,5,13-14H2,1-4,6-10H3/b15-11+,16-12-/t19-,20+,21+,22+,23+,24+,28-/m0/s1 |
| InChIKey | MEKMYFPRTQLJAW-YRSMPMRISA-N |
| Mol Weight | 559.1 g/mol |
| Molecular Formula | C28H43ClO9 |
| Exact Mass | 558.259561 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 6xevaLJy3uK |
|---|---|
| Name | 2.beta.-Acetoxy-4.alpha.-chloro-1.beta.,8-bis[(angeloyl)oxy]-3.beta.,10-dihydroxy-11-methoxybisabol-7(14)-ene |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C28H43ClO9 |
| InChI | InChI=1S/C28H43ClO9/c1-11-15(3)25(32)37-20(14-22(31)27(7,8)35-10)17(5)19-13-21(29)28(9,34)24(36-18(6)30)23(19)38-26(33)16(4)12-2/h11-12,19-24,31,34H,5,13-14H2,1-4,6-10H3/b15-11+,16-12-/t19-,20+,21+,22+,23+,24+,28-/m0/s1 |
| InChIKey | MEKMYFPRTQLJAW-YRSMPMRISA-N |
| Molecular Weight | 559.096 g/mol |
| SMILES | O[C@](C[C@](C([C@]1([C@]([C@]([C@]([C@@](C1)(Cl)[H])(O)C)(OC(=O)C)[H])(OC(\C(=C/C)C)=O)[H])[H])=C)(OC(\C(=C\C)C)=O)[H])(C(OC)(C)C)[H] |
| SPLASH | splash10-00e9-9000000000-a0880703bdef06ba2a25 |
| Source of Spectrum | G4-62-1482-1 |
| Wiley ID | 1608091 |