![SUBPUBESCENSOSIDE;11-BETA,16-OXO-ENT-KAURAN-19-OIC-ACID-19-O-[BETA-D-GLUCOPYRANOSYL-(1->2)]-[BETA-D-GLUCOPYRANOSYL-(1->3)]-BETA-D-GLUCOPYRANOSYLEST](/api/spectrum/53nQitx5442/structure.png?h=300&w=458 "SUBPUBESCENSOSIDE;11-BETA,16-OXO-ENT-KAURAN-19-OIC-ACID-19-O-[BETA-D-GLUCOPYRANOSYL-(1->2)]-[BETA-D-GLUCOPYRANOSYL-(1->3)]-BETA-D-GLUCOPYRANOSYLEST")
| SpectraBase Compound ID | AQuaVOzNKgX |
|---|---|
| InChI | InChI=1S/C38H60O18/c1-35-6-4-7-36(2,20(35)5-8-38-10-15-9-16(30(35)38)56-37(15,3)14-38)34(49)55-33-29(54-32-27(48)25(46)22(43)18(12-40)51-32)28(23(44)19(13-41)52-33)53-31-26(47)24(45)21(42)17(11-39)50-31/h15-33,39-48H,4-14H2,1-3H3/t15-,16-,17-,18+,19-,20-,21-,22+,23-,24+,25-,26-,27+,28+,29-,30?,31+,32-,33+,35+,36+,37+,38-/m0/s1 |
| InChIKey | PRRFBKXVIYXVGD-GERPUQIPSA-N |
| Mol Weight | 804.9 g/mol |
| Molecular Formula | C38H60O18 |
| Exact Mass | 804.377965 g/mol |
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| SpectraBase Spectrum ID | 53nQitx5442 |
|---|---|
| Name | SUBPUBESCENSOSIDE;11-BETA,16-OXO-ENT-KAURAN-19-OIC-ACID-19-O-[BETA-D-GLUCOPYRANOSYL-(1->2)]-[BETA-D-GLUCOPYRANOSYL-(1->3)]-BETA-D-GLUCOPYRANOSYLEST |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C38H60O18 |
| InChI | InChI=1S/C38H60O18/c1-35-6-4-7-36(2,20(35)5-8-38-10-15-9-16(30(35)38)56-37(15,3)14-38)34(49)55-33-29(54-32-27(48)25(46)22(43)18(12-40)51-32)28(23(44)19(13-41)52-33)53-31-26(47)24(45)21(42)17(11-39)50-31/h15-33,39-48H,4-14H2,1-3H3/t15-,16-,17-,18+,19-,20-,21-,22+,23-,24+,25-,26-,27+,28+,29-,30?,31+,32-,33+,35+,36+,37+,38-/m0/s1 |
| InChIKey | PRRFBKXVIYXVGD-GERPUQIPSA-N |
| Literature Reference Author | L.U.ROMAN,J.M.TORRES,R.REYES,J.D.HERNANDEZ,C.M.CERDA-GARCIA- ROJAS,P.JOSEPH-NATHA |
| Literature Reference Citation | PHYTOCHEM.,39,1133(1995) |
| Literature Reference DOI | 10.1016/0031-9422(95)00063-D |
| Molecular Weight | 804.884 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWMZ7716 |