SpectraBase Compound ID | 2Xo4SVU9qQm |
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InChI | InChI=1S/C68H112O37/c1-23(20-91-59-49(84)45(80)41(76)33(16-69)96-59)8-13-68(90)24(2)38-32(105-68)15-30-28-7-6-26-14-27(9-11-66(26,4)29(28)10-12-67(30,38)5)95-65-58(104-62-51(86)44(79)39(74)25(3)94-62)53(88)55(36(19-72)99-65)102-64-54(89)57(43(78)35(18-71)98-64)103-63-52(87)47(82)56(101-61-48(83)40(75)31(73)21-92-61)37(100-63)22-93-60-50(85)46(81)42(77)34(17-70)97-60/h6,23-25,27-65,69-90H,7-22H2,1-5H3/t23-,24+,25+,27+,28-,29+,30+,31+,32+,33+,34-,35-,36-,37-,38+,39+,40-,41+,42-,43-,44-,45-,46+,47-,48+,49+,50-,51-,52-,53+,54-,55-,56-,57+,58-,59+,60-,61-,62+,63+,64+,65-,66?,67?,68?/m1/s1 |
InChIKey | XICMIEMSNDPOLK-OWBQVDQOSA-N |
Mol Weight | 1521.6 g/mol |
Molecular Formula | C68H112O37 |
Exact Mass | 1520.688245 g/mol |
SpectraBase Spectrum ID | Hgv6kK6p556 |
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Name | #5;TRIGONEOSIDE-VB;26-O-BETA-D-GLUCOPYRANOSYL-3-BETA,22-XI,26-TRIHYDROXY-(25R)-FUROST-5-ENE-3-O-[ALPHA-L-RHAMNOPYRANOSYL-(1->2)]-[[(BETA-D-XYLOPYRANOSYL-(1->4) |
Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
Formula | C68H112O37 |
InChI | InChI=1S/C68H112O37/c1-23(20-91-59-49(84)45(80)41(76)33(16-69)96-59)8-13-68(90)24(2)38-32(105-68)15-30-28-7-6-26-14-27(9-11-66(26,4)29(28)10-12-67(30,38)5)95-65-58(104-62-51(86)44(79)39(74)25(3)94-62)53(88)55(36(19-72)99-65)102-64-54(89)57(43(78)35(18-71)98-64)103-63-52(87)47(82)56(101-61-48(83)40(75)31(73)21-92-61)37(100-63)22-93-60-50(85)46(81)42(77)34(17-70)97-60/h6,23-25,27-65,69-90H,7-22H2,1-5H3/t23-,24+,25+,27+,28-,29+,30+,31+,32+,33+,34-,35-,36-,37-,38+,39+,40-,41+,42-,43-,44-,45-,46+,47-,48+,49+,50-,51-,52-,53+,54-,55-,56-,57+,58-,59+,60-,61-,62+,63+,64+,65-,66?,67?,68?/m1/s1 |
InChIKey | XICMIEMSNDPOLK-OWBQVDQOSA-N |
Literature Reference Author | P.K.AGRAWAL |
Literature Reference Citation | STEROIDS,70,715(2005) |
Literature Reference DOI | 10.1016/j.steroids.2005.04.001 |
Molecular Weight | 1521.615 g/mol |
Sample ID | 968750 |
Solvent | C5D5N |