![#28;TRIGONEOSIDE-VA;26-O-BETA-D-GLUCOPYRANOSYL-3-BETA,22-XI,26-TRIHYDROXY-(25S)-FUROST-5-ENE-3-O-[ALPHA-L-RHAMNOPYRANOSYL-(1->2)]-[[(BETA-D-XYLOPYRANOSYL-(1->4](/api/spectrum/7DFM1bjTPw3/structure.png?h=300&w=458 "#28;TRIGONEOSIDE-VA;26-O-BETA-D-GLUCOPYRANOSYL-3-BETA,22-XI,26-TRIHYDROXY-(25S)-FUROST-5-ENE-3-O-[ALPHA-L-RHAMNOPYRANOSYL-(1->2)]-[[(BETA-D-XYLOPYRANOSYL-(1->4")
| SpectraBase Compound ID | 8bJV2vruAlw |
|---|---|
| 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?/m0/s1 |
| InChIKey | XICMIEMSNDPOLK-HJNMAXBYSA-N |
| Mol Weight | 1521.6 g/mol |
| Molecular Formula | C68H112O37 |
| Exact Mass | 1520.688245 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7DFM1bjTPw3 |
|---|---|
| Name | #28;TRIGONEOSIDE-VA;26-O-BETA-D-GLUCOPYRANOSYL-3-BETA,22-XI,26-TRIHYDROXY-(25S)-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?/m0/s1 |
| InChIKey | XICMIEMSNDPOLK-HJNMAXBYSA-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 | 968773 |
| Solvent | C5D5N |