SpectraBase Compound ID | 7WgkCOUHXpu |
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InChI | InChI=1S/C55H88O27/c1-21-15-31(60)82-55(21)14-13-53(5)24-7-8-29-51(3,23(24)9-12-54(53,55)6)11-10-30(52(29,4)20-58)78-47-41(70)39(68)35(64)28(77-47)19-73-49-44(33(62)25(59)18-72-49)80-50-45(81-46-40(69)37(66)32(61)22(2)74-46)43(36(65)27(17-57)76-50)79-48-42(71)38(67)34(63)26(16-56)75-48/h21-22,25-30,32-50,56-59,61-71H,7-20H2,1-6H3/t21-,22+,25+,26-,27-,28-,29-,30+,32+,33+,34-,35-,36-,37-,38+,39+,40-,41-,42-,43+,44-,45-,46+,47+,48+,49+,50+,51-,52-,53+,54+,55+/m1/s1 |
InChIKey | WWBVHOYMNHWCLR-PGBMLMLMSA-N |
Mol Weight | 1181.3 g/mol |
Molecular Formula | C55H88O27 |
Exact Mass | 1180.551298 g/mol |
SpectraBase Spectrum ID | 5tq9s057Kss |
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Name | #2;24,25,26-TRINOR-23-OXO-15-DEOXY-EUCOSTEROL-3-O-ALPHA-L-RHAMNOPYRANOSYL-(1->2)-[(O-BETA-D-GLUCOPYRANOSYL-(1->3)]-O-BETA-D-GLUCOPYRANOSYL-(1->2)-O-ALPHA-L-ARA |
Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
Formula | C55H88O27 |
InChI | InChI=1S/C55H88O27/c1-21-15-31(60)82-55(21)14-13-53(5)24-7-8-29-51(3,23(24)9-12-54(53,55)6)11-10-30(52(29,4)20-58)78-47-41(70)39(68)35(64)28(77-47)19-73-49-44(33(62)25(59)18-72-49)80-50-45(81-46-40(69)37(66)32(61)22(2)74-46)43(36(65)27(17-57)76-50)79-48-42(71)38(67)34(63)26(16-56)75-48/h21-22,25-30,32-50,56-59,61-71H,7-20H2,1-6H3/t21-,22+,25+,26-,27-,28-,29-,30+,32+,33+,34-,35-,36-,37-,38+,39+,40-,41-,42-,43+,44-,45-,46+,47+,48+,49+,50+,51-,52-,53+,54+,55+/m1/s1 |
InChIKey | WWBVHOYMNHWCLR-PGBMLMLMSA-N |
Literature Reference Author | M.ONO,Y.TAKATSU,T.OCHIAI,S.YASUDA,Y.NISHIDA,T.TANAKA,M.OKAWA ,J.KINJO |
Literature Reference Citation | CHEM.PHARM.BULL.,60,1314(2012) |
Literature Reference DOI | 10.1248/cpb.c12-00457 |
Molecular Weight | 1181.288 g/mol |
Source File Reference | UWBT4602 |