| SpectraBase Compound ID | Le5S96mW6z8 |
|---|---|
| InChI | InChI=1S/C54H88O16/c1-33-19-23-53-24-21-44(63-5)50(69-53)49(60)48(59)34(2)17-18-36-25-41(62-4)31-52(30-36)22-20-35(3)54(70-52)32-46(43(68-54)16-11-9-7-8-10-15-42(57)51(61)64-6)66-47(58)29-40-14-12-13-39(65-40)27-37(55)26-38(56)28-45(33)67-53/h8-11,33-46,48-50,55-57,59-60H,7,12-32H2,1-6H3/b10-8-,11-9+/t33-,34-,35-,36+,37-,38-,39-,40+,41-,42+,43-,44-,45+,46-,48-,49-,50-,52-,53-,54+/m0/s1 |
| InChIKey | DGTKLWJPRJMDQU-QISJZPMDSA-N |
| Mol Weight | 993.3 g/mol |
| Molecular Formula | C54H88O16 |
| Exact Mass | 992.607237 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7y7e3zHkB8B |
|---|---|
| Name | SPIRASTRELLOLIDE_B_METHYLESTER |
| Compound Number | 4 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C54H88O16 |
| InChI | InChI=1S/C54H88O16/c1-33-19-23-53-24-21-44(63-5)50(69-53)49(60)48(59)34(2)17-18-36-25-41(62-4)31-52(30-36)22-20-35(3)54(70-52)32-46(43(68-54)16-11-9-7-8-10-15-42(57)51(61)64-6)66-47(58)29-40-14-12-13-39(65-40)27-37(55)26-38(56)28-45(33)67-53/h8-11,33-46,48-50,55-57,59-60H,7,12-32H2,1-6H3/b10-8-,11-9+/t33-,34-,35-,36+,37-,38-,39-,40+,41-,42+,43-,44-,45+,46-,48-,49-,50-,52-,53-,54+/m0/s1 |
| InChIKey | DGTKLWJPRJMDQU-QISJZPMDSA-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 | 993.283 g/mol |
| Sample ID | 41216 |
| Solvent | C6D6 |