| SpectraBase Compound ID | KZRRIP44CRO |
|---|---|
| InChI | InChI=1S/C32H52O4/c1-19(2)21-10-13-29(6)16-17-31(8)22(26(21)29)18-23(36-34)27-30(7)14-12-25(35-20(3)33)28(4,5)24(30)11-15-32(27,31)9/h18-19,21,23-27,34H,10-17H2,1-9H3/t21-,23-,24+,25+,26+,27-,29-,30+,31-,32-/m1/s1 |
| InChIKey | ZFSNVDPFIMUXQN-JTHJKFCFSA-N |
| Mol Weight | 500.8 g/mol |
| Molecular Formula | C32H52O4 |
| Exact Mass | 500.38656 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CgdXZ64uUI0 |
|---|---|
| Name | 3-BETA-ACETOXY-11-ALPHA-HYDROPEROXY-NEOLUP-12-ENE |
| Compound Number | 14 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C32H52O4 |
| InChI | InChI=1S/C32H52O4/c1-19(2)21-10-13-29(6)16-17-31(8)22(26(21)29)18-23(36-34)27-30(7)14-12-25(35-20(3)33)28(4,5)24(30)11-15-32(27,31)9/h18-19,21,23-27,34H,10-17H2,1-9H3/t21-,23-,24+,25+,26+,27-,29-,30+,31-,32-/m1/s1 |
| InChIKey | ZFSNVDPFIMUXQN-JTHJKFCFSA-N |
| Literature Reference Author | T.WARASHINA,K.UMEHARA,T.MIYASE |
| Literature Reference Citation | CHEM.PHARM.BULL.,60,205(2012) |
| Literature Reference DOI | 10.1248/cpb.60.205 |
| Molecular Weight | 500.762 g/mol |
| Source File Reference | UWBT4254 |