| SpectraBase Compound ID | 1XLR4XfPEDc |
|---|---|
| InChI | InChI=1S/C30H50O2/c1-19(2)20-10-13-27(5)16-17-30(18-31)21(25(20)27)8-9-23-28(6)14-12-24(32)26(3,4)22(28)11-15-29(23,30)7/h8,19-20,22-25,31-32H,9-18H2,1-7H3/t20-,22-,23+,24-,25+,27+,28-,29+,30-/m0/s1 |
| InChIKey | HRQKASMTNHWIHD-FQCCYSHTSA-N |
| Mol Weight | 442.7 g/mol |
| Molecular Formula | C30H50O2 |
| Exact Mass | 442.381081 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2NXiELRRG6I |
|---|---|
| Name | OBTUSALIN;3-BETA,27-DIHYDROXY-LUP-12-ENE |
| Compound Number | 324 |
| Copyright | Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C30H50O2 |
| InChI | InChI=1S/C30H50O2/c1-19(2)20-10-13-27(5)16-17-30(18-31)21(25(20)27)8-9-23-28(6)14-12-24(32)26(3,4)22(28)11-15-29(23,30)7/h8,19-20,22-25,31-32H,9-18H2,1-7H3/t20-,22-,23+,24-,25+,27+,28-,29+,30-/m0/s1 |
| InChIKey | HRQKASMTNHWIHD-FQCCYSHTSA-N |
| Literature Reference Author | S.B.MAHATO,A.P.KUNDU |
| Literature Reference Citation | PHYTOCHEM.,37,1517(1994) |
| Literature Reference DOI | 10.1016/S0031-9422(00)89569-2 |
| Molecular Weight | 442.726 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWMS5424 |