SpectraBase Compound ID | 5wajD6OIEa4 |
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InChI | InChI=1S/C54H88O24/c1-21-29(58)32(61)35(64)45(71-21)77-40-34(63)31(60)25(19-56)73-47(40)75-38-37(66)39(44(69)70)76-48(41(38)78-46-36(65)33(62)30(59)24(18-55)72-46)74-28-12-13-51(6)26(50(28,4)5)11-14-52(7)27(51)10-9-22-23-17-49(2,3)15-16-54(23,20-57)43(68)42(67)53(22,52)8/h9,21,23-43,45-48,55-68H,10-20H2,1-8H3,(H,69,70)/t21-,23?,24-,25+,26?,27?,28-,29-,30-,31-,32+,33+,34-,35+,36-,37-,38-,39-,40+,41+,42-,43+,45-,46+,47-,48+,51-,52+,53-,54+/m0/s1 |
InChIKey | PRSXWKVOKJXPOL-VVCDPKTDSA-N |
Mol Weight | 1121.3 g/mol |
Molecular Formula | C54H88O24 |
Exact Mass | 1120.566554 g/mol |
SpectraBase Spectrum ID | KfxP60himxd |
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Name | TERNSTROEMIASIDE-C;3-O-[ALPHA-L-RHAMNOPYRANOSYL-(1->2)-BETA-D-GALACTOPYRANOSYL-(1->3)-[BETA-D-GLUCOPYRANOSYL-(1->2)]-BETA-D-GLUCURONOPYRANOSYL]-3-B |
Compound Number | 3 |
Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
Formula | C54H88O24 |
InChI | InChI=1S/C54H88O24/c1-21-29(58)32(61)35(64)45(71-21)77-40-34(63)31(60)25(19-56)73-47(40)75-38-37(66)39(44(69)70)76-48(41(38)78-46-36(65)33(62)30(59)24(18-55)72-46)74-28-12-13-51(6)26(50(28,4)5)11-14-52(7)27(51)10-9-22-23-17-49(2,3)15-16-54(23,20-57)43(68)42(67)53(22,52)8/h9,21,23-43,45-48,55-68H,10-20H2,1-8H3,(H,69,70)/t21-,23?,24-,25+,26?,27?,28-,29-,30-,31-,32+,33+,34-,35+,36-,37-,38-,39-,40+,41+,42-,43+,45-,46+,47-,48+,51-,52+,53-,54+/m0/s1 |
InChIKey | PRSXWKVOKJXPOL-VVCDPKTDSA-N |
Literature Reference Author | M.H.SHIN,W.WANG,K.I.NAM,Y.JO,J.H.JUNG,K.S.IM |
Literature Reference Citation | J.NAT.PROD.,66,1351(2003) |
Literature Reference DOI | 10.1021/np0301644 |
Molecular Weight | 1121.278 g/mol |
Solvent | CD3OD |
Source File Reference | UWSP1111 |