| SpectraBase Compound ID | 1PtXZXD3q7F |
|---|---|
| InChI | InChI=1S/C60H100O23S.Na/c1-5-6-7-8-9-10-11-12-13-14-17-20-26-44(65)54(73)59-57(76)48(69)36-50(83-59)58(77)51(70)38(3)29-31-42(63)49-35-47(68)56(75)60(82-49)55(74)45(66)33-37(2)28-30-41(62)34-46(67)53(72)39(4)52(71)43(64)27-22-21-25-40(61)24-19-16-15-18-23-32-81-84(78,79)80;/h5,8-13,19-22,24,26,33,39-77H,1,3,6-7,14-18,23,25,27-32,34-36H2,2,4H3,(H,78,79,80);/q;+1/p-1/b9-8+,11-10+,13-12+,22-21+,24-19+,26-20+,37-33+;/t39?,40?,41-,42+,43?,44-,45+,46-,47+,48+,49+,50+,51-,52?,53+,54+,55-,56+,57+,58+,59-,60-;/m0./s1 |
| InChIKey | FTLCRLMIOGRCRI-HVRHTHHSSA-M |
| Mol Weight | 1243.47876928 g/mol |
| Molecular Formula | C60H99NaO23S |
| Exact Mass | 1242.619555 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BZxk5PR45rO |
|---|---|
| Name | SYMBIOPOLYOL |
| Compound Number | 1A |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C60H99NaO23S |
| InChI | InChI=1S/C60H100O23S.Na/c1-5-6-7-8-9-10-11-12-13-14-17-20-26-44(65)54(73)59-57(76)48(69)36-50(83-59)58(77)51(70)38(3)29-31-42(63)49-35-47(68)56(75)60(82-49)55(74)45(66)33-37(2)28-30-41(62)34-46(67)53(72)39(4)52(71)43(64)27-22-21-25-40(61)24-19-16-15-18-23-32-81-84(78,79)80;/h5,8-13,19-22,24,26,33,39-77H,1,3,6-7,14-18,23,25,27-32,34-36H2,2,4H3,(H,78,79,80);/q;+1/p-1/b9-8+,11-10+,13-12+,22-21+,24-19+,26-20+,37-33+;/t39?,40?,41-,42+,43?,44-,45+,46-,47+,48+,49+,50+,51-,52?,53+,54+,55-,56+,57+,58+,59-,60-;/m0./s1 |
| InChIKey | FTLCRLMIOGRCRI-HVRHTHHSSA-M |
| Literature Reference Author | N.HANIF,O.OHNO,M.KITAMURA,K.YAMADA,D.UEMURA |
| Literature Reference Citation | J.NAT.PROD.,73,1318(2010) |
| Literature Reference DOI | 10.1021/np100221k |
| Molecular Weight | 1243.482 g/mol |
| Sample ID | 36509 |
| Solvent | CD3OD:C5D5N=2:1 |