| SpectraBase Compound ID | 8s6SVIhdSVW |
|---|---|
| InChI | InChI=1S/C28H31ClO15/c1-9-19(32)22(35)24(37)27(41-9)40-8-16-20(33)23(36)25(38)28(44-16)42-11-6-13(31)17-15(7-11)43-26(18(29)21(17)34)10-3-4-14(39-2)12(30)5-10/h3-7,9,16,19-20,22-25,27-28,30-33,35-38H,8H2,1-2H3/t9-,16+,19-,20+,22+,23-,24+,25+,27+,28+/m1/s1 |
| InChIKey | WBZGJDJREGTHSK-FULTUGHTSA-N |
| Mol Weight | 642.99 g/mol |
| Molecular Formula | C28H31ClO15 |
| Exact Mass | 642.135148 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4g3GaQrVwDd |
|---|---|
| Name | 3-CHLORODIOSMIN |
| Compound Number | 13 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C28H31ClO15 |
| InChI | InChI=1S/C28H31ClO15/c1-9-19(32)22(35)24(37)27(41-9)40-8-16-20(33)23(36)25(38)28(44-16)42-11-6-13(31)17-15(7-11)43-26(18(29)21(17)34)10-3-4-14(39-2)12(30)5-10/h3-7,9,16,19-20,22-25,27-28,30-33,35-38H,8H2,1-2H3/t9-,16+,19-,20+,22+,23-,24+,25+,27+,28+/m1/s1 |
| InChIKey | WBZGJDJREGTHSK-FULTUGHTSA-N |
| Literature Reference Author | G.LEWIN,A.MACIUK,A.MONCOMBLE,J.P.CORNARD |
| Literature Reference Citation | J.NAT.PROD.,76,8(2013) |
| Literature Reference DOI | 10.1021/np300460a |
| Molecular Weight | 642.998 g/mol |
| Sample ID | 41003 |
| Solvent | DMSO-D6 |