| SpectraBase Compound ID | BuZbeLl0XX5 |
|---|---|
| InChI | InChI=1S/C52H84O17/c1-31-18-21-50-23-20-42(62-5)48(68-50)47(58)46(57)32(2)16-17-38-27-39(61-4)29-51(65-38)22-19-33(3)52(69-51)30-44(41(67-52)15-10-8-6-7-9-14-40(55)49(59)60)64-45(56)28-37-13-11-12-36(63-37)25-34(53)24-35(54)26-43(31)66-50/h7-10,31-44,46-48,53-55,57-58H,6,11-30H2,1-5H3,(H,59,60)/b9-7-,10-8+/t31-,32-,33-,34-,35-,36-,37+,38+,39-,40+,41-,42-,43+,44-,46-,47-,48-,50-,51+,52+/m0/s1 |
| InChIKey | HMADRIBUUCSHFV-UONBDMEISA-N |
| Mol Weight | 981.2 g/mol |
| Molecular Formula | C52H84O17 |
| Exact Mass | 980.570851 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CUf9kwuPcCp |
|---|---|
| Name | SPIRASTRELLOLIDE_B |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C52H84O17 |
| InChI | InChI=1S/C52H84O17/c1-31-18-21-50-23-20-42(62-5)48(68-50)47(58)46(57)32(2)16-17-38-27-39(61-4)29-51(65-38)22-19-33(3)52(69-51)30-44(41(67-52)15-10-8-6-7-9-14-40(55)49(59)60)64-45(56)28-37-13-11-12-36(63-37)25-34(53)24-35(54)26-43(31)66-50/h7-10,31-44,46-48,53-55,57-58H,6,11-30H2,1-5H3,(H,59,60)/b9-7-,10-8+/t31-,32-,33-,34-,35-,36-,37+,38+,39-,40+,41-,42-,43+,44-,46-,47-,48-,50-,51+,52+/m0/s1 |
| InChIKey | HMADRIBUUCSHFV-UONBDMEISA-N |
| Literature Reference Author | M.SUZUKI,R.UEOKA,K.TAKADA,S.OKADA,S.OHTSUKA,Y.ISE,S.MATSUNAG A |
| Literature Reference Citation | J.NAT.PROD.,75,1192(2012) |
| Literature Reference DOI | 10.1021/np2009576 |
| Molecular Weight | 981.229 g/mol |
| Sample ID | 41215 |
| Solvent | CD3OD |