SpectraBase Compound ID | F7YlinD1hx1 |
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InChI | InChI=1S/C57H108N2O21S/c1-4-6-8-10-12-14-16-18-19-20-21-22-23-25-27-29-31-33-35-43(63)54(70)59-41(48(65)42(62)34-32-30-28-26-24-17-15-13-11-9-7-5-2)38-76-55-52(69)51(68)49(66)46(78-55)39-77-57(56(71)72)36-44(64)47(58-40(3)61)53(79-57)50(67)45(37-60)80-81(73,74)75/h41-53,55,60,62-69H,4-39H2,1-3H3,(H,58,61)(H,59,70)(H,71,72)(H,73,74,75)/t41-,42+,43+,44-,45?,46+,47+,48-,49+,50?,51-,52+,53+,55+,57+/m0/s1 |
InChIKey | KDIAWUMPRXEEHP-PXIKMEHFSA-N |
Mol Weight | 1189.5 g/mol |
Molecular Formula | C57H108N2O21S |
Exact Mass | 1188.71653 g/mol |
SpectraBase Spectrum ID | E3BcYhuRF8t |
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Name | OSG-1;NORMAL-TYPE-OF-SIDE-CHAIN |
Compound Number | 2 |
Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
Formula | C57H108N2O21S |
InChI | InChI=1S/C57H108N2O21S/c1-4-6-8-10-12-14-16-18-19-20-21-22-23-25-27-29-31-33-35-43(63)54(70)59-41(48(65)42(62)34-32-30-28-26-24-17-15-13-11-9-7-5-2)38-76-55-52(69)51(68)49(66)46(78-55)39-77-57(56(71)72)36-44(64)47(58-40(3)61)53(79-57)50(67)45(37-60)80-81(73,74)75/h41-53,55,60,62-69H,4-39H2,1-3H3,(H,58,61)(H,59,70)(H,71,72)(H,73,74,75)/t41-,42+,43+,44-,45?,46+,47+,48-,49+,50?,51-,52+,53+,55+,57+/m0/s1 |
InChIKey | KDIAWUMPRXEEHP-PXIKMEHFSA-N |
Literature Reference Author | M.INAGAKI,M.SHIBAI,R.ISOBE,R.HIGUCHI |
Literature Reference Citation | CHEM.PHARM.BULL.,49,1521(2001) |
Literature Reference DOI | 10.1248/cpb.49.1521 |
Molecular Weight | 1189.545 g/mol |
Solvent | C5D5N |
Source File Reference | UWVN29049 |