| SpectraBase Compound ID | GYajiGBZCF0 |
|---|---|
| InChI | InChI=1S/C63H100O31/c1-23-45(89-52-44(79)46(27(66)21-84-52)90-51-40(75)34(69)26(65)20-83-51)39(74)43(78)53(86-23)93-49-47(91-54-41(76)36(71)35(70)29(19-64)87-54)28(67)22-85-56(49)94-57(82)63-16-15-58(2,3)17-25(63)24-9-10-31-60(6)13-12-33(88-55-42(77)37(72)38(73)48(92-55)50(80)81)59(4,5)30(60)11-14-61(31,7)62(24,8)18-32(63)68/h9,23,25-49,51-56,64-79H,10-22H2,1-8H3,(H,80,81)/t23-,25-,26-,27-,28-,29-,30-,31+,32+,33-,34+,35-,36+,37-,38-,39-,40-,41-,42+,43+,44-,45-,46+,47-,48-,49+,51+,52+,53-,54+,55+,56-,60-,61+,62+,63+/m0/s1 |
| InChIKey | DUJZKTGKEOIECZ-WJVVVESWSA-N |
| Mol Weight | 1353.5 g/mol |
| Molecular Formula | C63H100O31 |
| Exact Mass | 1352.624856 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9VOOSHTbpcg |
|---|---|
| Name | #2;LANCEMASIDE-B;3-O-BETA-D-GLUCURONOPYRANOSYL-(3-BETA,16-ALPHA)-DIHYDROXY-OLEAN-12-EN-28-OIC-ACID-28-O-BETA-D-XYLOPYRANOSYL-(1->3)-BETA-D-XYLOPYRANOSYL-(1->4) |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C63H100O31 |
| InChI | InChI=1S/C63H100O31/c1-23-45(89-52-44(79)46(27(66)21-84-52)90-51-40(75)34(69)26(65)20-83-51)39(74)43(78)53(86-23)93-49-47(91-54-41(76)36(71)35(70)29(19-64)87-54)28(67)22-85-56(49)94-57(82)63-16-15-58(2,3)17-25(63)24-9-10-31-60(6)13-12-33(88-55-42(77)37(72)38(73)48(92-55)50(80)81)59(4,5)30(60)11-14-61(31,7)62(24,8)18-32(63)68/h9,23,25-49,51-56,64-79H,10-22H2,1-8H3,(H,80,81)/t23-,25-,26-,27-,28-,29-,30-,31+,32+,33-,34+,35-,36+,37-,38-,39-,40-,41-,42+,43+,44-,45-,46+,47-,48-,49+,51+,52+,53-,54+,55+,56-,60-,61+,62+,63+/m0/s1 |
| InChIKey | DUJZKTGKEOIECZ-WJVVVESWSA-N |
| Literature Reference Author | M.USHIJIMA,N.KOMOTO,Y.SUGIZONO,I.MIZUNO,M.SUMIHIRO,M.ICHIKAW A,M.HAYAMA |
| Literature Reference Citation | CHEM.PHARM.BULL.,56,308(2008) |
| Literature Reference DOI | 10.1248/cpb.56.308 |
| Molecular Weight | 1353.468 g/mol |
| Sample ID | 1310 |
| Solvent | C5D5N |