| SpectraBase Compound ID | JhhwT8o5Xx4 |
|---|---|
| InChI | InChI=1S/C52H81ClO17/c1-30-18-21-50-23-20-40(62-4)48(69-50)47(59)46(58)31(2)16-17-39-45(53)43(63-5)28-51(66-39)22-19-32(3)52(70-51)29-42(38(68-52)15-10-8-6-7-9-14-37(56)49(60)61)65-44(57)27-36-13-11-12-35(64-36)25-33(54)24-34(55)26-41(30)67-50/h7-10,18,21,30-43,45-48,54-56,58-59H,6,11-17,19-20,22-29H2,1-5H3,(H,60,61)/b9-7-,10-8+/t30-,31-,32-,33-,34-,35-,36+,37+,38-,39+,40-,41+,42-,43+,45+,46-,47-,48-,50-,51+,52+/m0/s1 |
| InChIKey | LCZGCXKNTJCYQL-CIAGLNJBSA-N |
| Mol Weight | 1013.7 g/mol |
| Molecular Formula | C52H81ClO17 |
| Exact Mass | 1012.516229 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1Hs0Ln3s7rW |
|---|---|
| Name | SPIRASTRELLOLIDE_A |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C52H81ClO17 |
| InChI | InChI=1S/C52H81ClO17/c1-30-18-21-50-23-20-40(62-4)48(69-50)47(59)46(58)31(2)16-17-39-45(53)43(63-5)28-51(66-39)22-19-32(3)52(70-51)29-42(38(68-52)15-10-8-6-7-9-14-37(56)49(60)61)65-44(57)27-36-13-11-12-35(64-36)25-33(54)24-34(55)26-41(30)67-50/h7-10,18,21,30-43,45-48,54-56,58-59H,6,11-17,19-20,22-29H2,1-5H3,(H,60,61)/b9-7-,10-8+/t30-,31-,32-,33-,34-,35-,36+,37+,38-,39+,40-,41+,42-,43+,45+,46-,47-,48-,50-,51+,52+/m0/s1 |
| InChIKey | LCZGCXKNTJCYQL-CIAGLNJBSA-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 | 1013.658 g/mol |
| Sample ID | 41214 |
| Solvent | CD3OD |