![(23S,24S)-SPIROSTA-5,25(27)-DIENE-1-BETA,3-BETA,23,24-TETROL-1-O-[O-(4-O-ACETYL-ALPHA-L-RHAMNOPYRANOSYL)-(1->2)-O-[BETA-D-XYLOPARANOSYL-(1->3)]-ALP](/api/spectrum/6lRaXX9dCvy/structure.png?h=300&w=458 "(23S,24S)-SPIROSTA-5,25(27)-DIENE-1-BETA,3-BETA,23,24-TETROL-1-O-[O-(4-O-ACETYL-ALPHA-L-RHAMNOPYRANOSYL)-(1->2)-O-[BETA-D-XYLOPARANOSYL-(1->3)]-ALP")
| SpectraBase Compound ID | HCjIBY98BFG |
|---|---|
| InChI | InChI=1S/C51H78O23/c1-18-15-66-51(44(63)40(18)71-46-38(61)35(58)33(56)20(3)67-46)19(2)32-30(74-51)14-27-25-9-8-23-12-24(53)13-31(50(23,7)26(25)10-11-49(27,32)6)70-48-43(73-47-39(62)36(59)41(21(4)68-47)69-22(5)52)42(29(55)17-65-48)72-45-37(60)34(57)28(54)16-64-45/h8,19-21,24-48,53-63H,1,9-17H2,2-7H3/t19-,20-,21+,24+,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-,50-,51-/m0/s1 |
| InChIKey | PPBMRFNEMIFFFJ-MQNYZMCYSA-N |
| Mol Weight | 1059.2 g/mol |
| Molecular Formula | C51H78O23 |
| Exact Mass | 1058.493389 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6lRaXX9dCvy |
|---|---|
| Name | (23S,24S)-SPIROSTA-5,25(27)-DIENE-1-BETA,3-BETA,23,24-TETROL-1-O-[O-(4-O-ACETYL-ALPHA-L-RHAMNOPYRANOSYL)-(1->2)-O-[BETA-D-XYLOPARANOSYL-(1->3)]-ALP |
| Compound Number | 8 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C51H78O23 |
| InChI | InChI=1S/C51H78O23/c1-18-15-66-51(44(63)40(18)71-46-38(61)35(58)33(56)20(3)67-46)19(2)32-30(74-51)14-27-25-9-8-23-12-24(53)13-31(50(23,7)26(25)10-11-49(27,32)6)70-48-43(73-47-39(62)36(59)41(21(4)68-47)69-22(5)52)42(29(55)17-65-48)72-45-37(60)34(57)28(54)16-64-45/h8,19-21,24-48,53-63H,1,9-17H2,2-7H3/t19-,20-,21+,24+,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-,50-,51-/m0/s1 |
| InChIKey | PPBMRFNEMIFFFJ-MQNYZMCYSA-N |
| Literature Reference Author | Y.MIMAKI,T.INOUE,M.KURODA,Y.SASHIDA |
| Literature Reference Citation | PHYTOCHEM.,43,1325(1996) |
| Literature Reference DOI | 10.1016/S0031-9422(96)00397-4 |
| Molecular Weight | 1059.167 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWMS2425 |