| SpectraBase Compound ID | Govgj5AGvPn |
|---|---|
| InChI | InChI=1S/C45H80O16/c1-13-22(2)14-23(3)15-29(9)43(61-45-42(56)41(55)40(54)35(60-45)21-58-32(12)47)30(10)18-27(7)37(51)25(5)16-24(4)36(50)26(6)17-28(8)38(52)31(11)44(57)59-20-34(49)39(53)33(48)19-46/h16-18,22-23,25-26,29-31,33-43,45-46,48-56H,13-15,19-21H2,1-12H3/b24-16+,27-18+,28-17+/t22?,23?,25?,26?,29?,30?,31?,33-,34-,35-,36?,37?,38?,39-,40-,41+,42+,43?,45+/m0/s1 |
| InChIKey | GRDLKOZEWJLCMH-WTGUAJQLSA-N |
| Mol Weight | 877.1 g/mol |
| Molecular Formula | C45H80O16 |
| Exact Mass | 876.544636 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | E2GBRzMNJ9m |
|---|---|
| Name | CLADIONOL_A |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C45H80O16 |
| InChI | InChI=1S/C45H80O16/c1-13-22(2)14-23(3)15-29(9)43(61-45-42(56)41(55)40(54)35(60-45)21-58-32(12)47)30(10)18-27(7)37(51)25(5)16-24(4)36(50)26(6)17-28(8)38(52)31(11)44(57)59-20-34(49)39(53)33(48)19-46/h16-18,22-23,25-26,29-31,33-43,45-46,48-56H,13-15,19-21H2,1-12H3/b24-16+,27-18+,28-17+/t22?,23?,25?,26?,29?,30?,31?,33-,34-,35-,36?,37?,38?,39-,40-,41+,42+,43?,45+/m0/s1 |
| InChIKey | GRDLKOZEWJLCMH-WTGUAJQLSA-N |
| Literature Reference Author | Y.KASAI,K.KOMATSU,H.SHIGEMORI,M.TSUDA,Y.MIKAMI,J.KOBAYASHI |
| Literature Reference Citation | J.NAT.PROD.,68,777(2005) |
| Literature Reference DOI | 10.1021/np050046b |
| Molecular Weight | 877.121 g/mol |
| Solvent | CD3OD |