![NIGRUMNIN-II;(25R)-3-BETA,17-ALPHA-DIHYDROXY-5-ALPHA-SPIROSTAN-12-ONE-3-O-BETA-D-XYLOPYRANOSYL-(1->3)-[ALPHA-L-ARABINOPYRANOSYL-(1->2)]-BETA-D-GLUC](/api/spectrum/HfmwFY0E5Hy/structure.png?h=300&w=458 "NIGRUMNIN-II;(25R)-3-BETA,17-ALPHA-DIHYDROXY-5-ALPHA-SPIROSTAN-12-ONE-3-O-BETA-D-XYLOPYRANOSYL-(1->3)-[ALPHA-L-ARABINOPYRANOSYL-(1->2)]-BETA-D-GLUC")
| SpectraBase Compound ID | 5ZrmAvTSY6q |
|---|---|
| InChI | InChI=1S/C55H88O27/c1-20-8-11-54(73-17-20)22(3)55(70)33(82-54)14-27-25-7-6-23-12-24(9-10-52(23,4)26(25)13-32(60)53(27,55)5)75-50-45(80-49-41(68)38(65)34(61)21(2)74-49)42(69)43(31(16-57)77-50)78-51-46(81-48-40(67)36(63)29(59)19-72-48)44(37(64)30(15-56)76-51)79-47-39(66)35(62)28(58)18-71-47/h20-31,33-51,56-59,61-70H,6-19H2,1-5H3/t20-,21+,22-,23+,24+,25-,26+,27+,28-,29+,30-,31-,33+,34+,35+,36+,37-,38-,39-,40-,41-,42+,43+,44+,45-,46-,47+,48+,49+,50-,51+,52+,53-,54-,55-/m1/s1 |
| InChIKey | MVNPCFRHJXMCMA-MENRLZMASA-N |
| Mol Weight | 1181.3 g/mol |
| Molecular Formula | C55H88O27 |
| Exact Mass | 1180.551298 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HfmwFY0E5Hy |
|---|---|
| Name | NIGRUMNIN-II;(25R)-3-BETA,17-ALPHA-DIHYDROXY-5-ALPHA-SPIROSTAN-12-ONE-3-O-BETA-D-XYLOPYRANOSYL-(1->3)-[ALPHA-L-ARABINOPYRANOSYL-(1->2)]-BETA-D-GLUC |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C55H88O27 |
| InChI | InChI=1S/C55H88O27/c1-20-8-11-54(73-17-20)22(3)55(70)33(82-54)14-27-25-7-6-23-12-24(9-10-52(23,4)26(25)13-32(60)53(27,55)5)75-50-45(80-49-41(68)38(65)34(61)21(2)74-49)42(69)43(31(16-57)77-50)78-51-46(81-48-40(67)36(63)29(59)19-72-48)44(37(64)30(15-56)76-51)79-47-39(66)35(62)28(58)18-71-47/h20-31,33-51,56-59,61-70H,6-19H2,1-5H3/t20-,21+,22-,23+,24+,25-,26+,27+,28-,29+,30-,31-,33+,34+,35+,36+,37-,38-,39-,40-,41-,42+,43+,44+,45-,46-,47+,48+,49+,50-,51+,52+,53-,54-,55-/m1/s1 |
| InChIKey | MVNPCFRHJXMCMA-MENRLZMASA-N |
| Literature Reference Author | T.IKEDA,H.TSUMAGARI,T.NOHARA |
| Literature Reference Citation | CHEM.PHARM.BULL.,48,1062(2000) |
| Literature Reference DOI | 10.1248/cpb.48.1062 |
| Molecular Weight | 1181.288 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWVN4396 |