| SpectraBase Compound ID | J2LtrbuvsQO |
|---|---|
| InChI | InChI=1S/C39H62O15/c1-17-28(43)30(45)32(47)34(50-17)53-33-31(46)29(44)26(15-41)52-35(33)51-20-6-8-36(3)22-7-9-37(4)23(21(22)12-25(42)24(36)11-20)13-27-39(37,48)18(2)38(54-27)10-5-19(14-40)16-49-38/h17-24,26-35,40-41,43-48H,5-16H2,1-4H3/t17-,18+,19-,20-,21+,22-,23-,24-,26+,27-,28-,29+,30+,31-,32+,33+,34-,35+,36+,37-,38-,39+/m0/s1 |
| InChIKey | JVOSXNJSHMFCPA-JWKFGFCUSA-N |
| Mol Weight | 770.9 g/mol |
| Molecular Formula | C39H62O15 |
| Exact Mass | 770.408871 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8m4nZrnO2vE |
|---|---|
| Name | PUMILUM-A;(25R)-3-BETA,17-ALPHA,27-TRIOL-SPIROSTAN-6-ONE-3-O-ALPHA-L-RHAMNOPYRANOSYL-(1->2)-BETA-D-GLUCOPYRANOSIDE |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C39H62O15 |
| InChI | InChI=1S/C39H62O15/c1-17-28(43)30(45)32(47)34(50-17)53-33-31(46)29(44)26(15-41)52-35(33)51-20-6-8-36(3)22-7-9-37(4)23(21(22)12-25(42)24(36)11-20)13-27-39(37,48)18(2)38(54-27)10-5-19(14-40)16-49-38/h17-24,26-35,40-41,43-48H,5-16H2,1-4H3/t17-,18+,19-,20-,21+,22-,23-,24-,26+,27-,28-,29+,30+,31-,32+,33+,34-,35+,36+,37-,38-,39+/m0/s1 |
| InChIKey | JVOSXNJSHMFCPA-JWKFGFCUSA-N |
| Literature Reference Author | Z.L.ZHOU,Z.C.FENG,C.Y.FU,H.L.ZHANG,J.M.XIA |
| Literature Reference Citation | MOLECULES,17,10494(2012) |
| Literature Reference DOI | 10.3390/molecules170910494 |
| Molecular Weight | 770.912 g/mol |
| Sample ID | 629 |
| Solvent | C5D5N |