| SpectraBase Compound ID | 4AVWYo3zErh |
|---|---|
| InChI | InChI=1S/C44H66O14/c1-23-31(47)33(49)35-37(5,6)27(53-25(3)45)11-13-39(35,9)43(23)17-15-41(57-43)19-29(51-21-41)55-56-30-20-42(22-52-30)16-18-44(58-42)24(2)32(48)34(50)36-38(7,8)28(54-26(4)46)12-14-40(36,44)10/h23-24,27-32,35-36,47-48H,11-22H2,1-10H3/t23-,24-,27-,28-,29-,30+,31-,32-,35+,36+,39+,40+,41+,42+,43-,44-/m1/s1 |
| InChIKey | UCHSUQIHWHGVBF-CJFRZJCWSA-N |
| Mol Weight | 819.0 g/mol |
| Molecular Formula | C44H66O14 |
| Exact Mass | 818.445257 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4j9VCM3GXUL |
|---|---|
| Name | PRELEOSIBIRONE_AB;3-ACETOXY-7-BETA,15-ALPHA-DIHYDROXY-9-ALPHA,13-ALPHA;15,16-DIEPOXYLABD-6-ONE;MIXED_WITH;15-EPI-LEOSIBIRONE_B |
| Compound Number | 5;6 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C44H66O14 |
| InChI | InChI=1S/C44H66O14/c1-23-31(47)33(49)35-37(5,6)27(53-25(3)45)11-13-39(35,9)43(23)17-15-41(57-43)19-29(51-21-41)55-56-30-20-42(22-52-30)16-18-44(58-42)24(2)32(48)34(50)36-38(7,8)28(54-26(4)46)12-14-40(36,44)10/h23-24,27-32,35-36,47-48H,11-22H2,1-10H3/t23-,24-,27-,28-,29-,30+,31-,32-,35+,36+,39+,40+,41+,42+,43-,44-/m1/s1 |
| InChIKey | UCHSUQIHWHGVBF-CJFRZJCWSA-N |
| Literature Reference Author | H.WU,F.R.FRONCZEK,D.FERREIRA,C.L.BURANDT,J.K.ZJAWIONY |
| Literature Reference Citation | J.NAT.PROD.,74,831(2011) |
| Literature Reference DOI | 10.1021/np100956k |
| Molecular Weight | 819.000 g/mol |
| Sample ID | 37355 |
| Solvent | DMSO-D6 |