![2.beta.-Acetoxy-4.alpha.-chloro-1.beta.,8-bis[(angeloyl)oxy]-3.beta.,10-dihydroxybisabol-7(14),11(12)-diene](/api/spectrum/D5nr4KtaZrC/structure.png?h=300&w=458 "2.beta.-Acetoxy-4.alpha.-chloro-1.beta.,8-bis[(angeloyl)oxy]-3.beta.,10-dihydroxybisabol-7(14),11(12)-diene")
| SpectraBase Compound ID | J869QFoYl6d |
|---|---|
| InChI | InChI=1S/C27H39ClO8/c1-10-15(5)25(31)35-21(13-20(30)14(3)4)17(7)19-12-22(28)27(9,33)24(34-18(8)29)23(19)36-26(32)16(6)11-2/h10-11,19-24,30,33H,3,7,12-13H2,1-2,4-6,8-9H3/b15-10+,16-11-/t19-,20+,21+,22+,23+,24+,27-/m0/s1 |
| InChIKey | NSRLJPIFCTWUBI-IBQTWUDDSA-N |
| Mol Weight | 527.1 g/mol |
| Molecular Formula | C27H39ClO8 |
| Exact Mass | 526.233346 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 | D5nr4KtaZrC |
|---|---|
| Name | 2.beta.-Acetoxy-4.alpha.-chloro-1.beta.,8-bis[(angeloyl)oxy]-3.beta.,10-dihydroxybisabol-7(14),11(12)-diene |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C27H39ClO8 |
| InChI | InChI=1S/C27H39ClO8/c1-10-15(5)25(31)35-21(13-20(30)14(3)4)17(7)19-12-22(28)27(9,33)24(34-18(8)29)23(19)36-26(32)16(6)11-2/h10-11,19-24,30,33H,3,7,12-13H2,1-2,4-6,8-9H3/b15-10+,16-11-/t19-,20+,21+,22+,23+,24+,27-/m0/s1 |
| InChIKey | NSRLJPIFCTWUBI-IBQTWUDDSA-N |
| Molecular Weight | 527.054 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(=C)C)[H] |
| SPLASH | splash10-001i-9000000000-9ced4ef47813af30cd9c |
| Source of Spectrum | G4-62-1483-3 |
| Wiley ID | 1608088 |