| SpectraBase Compound ID | AeY2buZGAVb |
|---|---|
| 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-/m1/s1 |
| InChIKey | NSRLJPIFCTWUBI-CIMOLVEOSA-N |
| Mol Weight | 527.1 g/mol |
| Molecular Formula | C27H39ClO8 |
| Exact Mass | 526.233346 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5tvFplnRwF9 |
|---|---|
| Name | 2-BETA-ACETOXY-4-ALPHA-CHLORO-1-BETA,8-DIANGELOYLOXY-3-BETA,10-DIHYDROXY-BISABOL-7(14),11(12)-DIENE |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. 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-/m1/s1 |
| InChIKey | NSRLJPIFCTWUBI-CIMOLVEOSA-N |
| Literature Reference Author | Y.ZHU,L.YANG,Z.J.JIA |
| Literature Reference Citation | J.NAT.PROD.,62,1479(1999) |
| Literature Reference DOI | 10.1021/np990044p |
| Molecular Weight | 527.055 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWCS21574 |