![#4;TRIGONEOSIDE-VIIB;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->](/api/spectrum/EUTNdYZNtTd/structure.png?h=300&w=458 "#4;TRIGONEOSIDE-VIIB;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->")
| SpectraBase Compound ID | 9E4cHoGlr6u |
|---|---|
| InChI | InChI=1S/C67H110O36/c1-23(19-89-59-49(83)45(79)42(76)34(16-68)95-59)8-13-67(88)24(2)38-33(103-67)15-30-28-7-6-26-14-27(9-11-65(26,4)29(28)10-12-66(30,38)5)94-64-57(102-61-50(84)44(78)39(73)25(3)93-61)52(86)54(36(18-70)97-64)100-63-53(87)56(43(77)35(17-69)96-63)101-62-51(85)46(80)55(99-60-48(82)41(75)32(72)21-91-60)37(98-62)22-92-58-47(81)40(74)31(71)20-90-58/h6,23-25,27-64,68-88H,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?/m1/s1 |
| InChIKey | HXDDBVXTMSCRNG-PUDTUFTMSA-N |
| Mol Weight | 1491.6 g/mol |
| Molecular Formula | C67H110O36 |
| Exact Mass | 1490.67768 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | EUTNdYZNtTd |
|---|---|
| Name | #4;TRIGONEOSIDE-VIIB;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-> |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C67H110O36 |
| InChI | InChI=1S/C67H110O36/c1-23(19-89-59-49(83)45(79)42(76)34(16-68)95-59)8-13-67(88)24(2)38-33(103-67)15-30-28-7-6-26-14-27(9-11-65(26,4)29(28)10-12-66(30,38)5)94-64-57(102-61-50(84)44(78)39(73)25(3)93-61)52(86)54(36(18-70)97-64)100-63-53(87)56(43(77)35(17-69)96-63)101-62-51(85)46(80)55(99-60-48(82)41(75)32(72)21-91-60)37(98-62)22-92-58-47(81)40(74)31(71)20-90-58/h6,23-25,27-64,68-88H,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?/m1/s1 |
| InChIKey | HXDDBVXTMSCRNG-PUDTUFTMSA-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 | 1491.589 g/mol |
| Sample ID | 968749 |
| Solvent | C5D5N |