| SpectraBase Compound ID | AlO9vL85INX |
|---|---|
| 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(23(19)36-18(6)30)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-/m1/s1 |
| InChIKey | ZHZZASGVNRBIRD-JFAOFSKSSA-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 | DRv19XFK2mU |
|---|---|
| Name | 1.beta.-Acetoxy-2.beta.,8-diangeloyloxy-3.beta.,10-dihydroxy-4.alpha.-chloro-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(23(19)36-18(6)30)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-/m1/s1 |
| InChIKey | ZHZZASGVNRBIRD-JFAOFSKSSA-N |
| Molecular Weight | 559.096 g/mol |
| SMILES | OC(CC(C([C@@]1([C@@]([C@@]([C@@]([C@](C1)(Cl)[H])(O)C)(OC(\C(=C\C)C)=O)[H])(OC(=O)C)[H])[H])=C)OC(\C(=C\C)C)=O)C(OC)(C)C |
| SPLASH | splash10-05gi-9001000000-b98e4ef7a6ddf2ef3808 |
| Source of Spectrum | QA-46-189-4 |
| Wiley ID | 863176 |