![3-O-[9(Z)-OCTADECENOYL]BETULINIC_ACID](/api/spectrum/HCN8I4fAZGi/structure.png?h=300&w=458 "3-O-[9(Z)-OCTADECENOYL]BETULINIC_ACID")
| SpectraBase Compound ID | F3qIJStosCo |
|---|---|
| InChI | InChI=1S/C48H80O4/c1-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-41(49)52-40-29-30-45(6)38(44(40,4)5)28-31-47(8)39(45)26-25-37-42-36(35(2)3)27-32-48(42,43(50)51)34-33-46(37,47)7/h16-17,36-40,42H,2,9-15,18-34H2,1,3-8H3,(H,50,51)/b17-16-/t36-,37?,38?,39?,40-,42?,45-,46+,47+,48-/m0/s1 |
| InChIKey | YRVHGCPAERWQAO-POUSQZCGSA-N |
| Mol Weight | 721.2 g/mol |
| Molecular Formula | C48H80O4 |
| Exact Mass | 720.605661 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HCN8I4fAZGi |
|---|---|
| Name | 3-O-[9(Z)-OCTADECENOYL]BETULINIC_ACID |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C48H80O4 |
| InChI | InChI=1S/C48H80O4/c1-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-41(49)52-40-29-30-45(6)38(44(40,4)5)28-31-47(8)39(45)26-25-37-42-36(35(2)3)27-32-48(42,43(50)51)34-33-46(37,47)7/h16-17,36-40,42H,2,9-15,18-34H2,1,3-8H3,(H,50,51)/b17-16-/t36-,37?,38?,39?,40-,42?,45-,46+,47+,48-/m0/s1 |
| InChIKey | YRVHGCPAERWQAO-POUSQZCGSA-N |
| Literature Reference Author | B.SU,M.CUENDET,N.FARNWORTH,H.FONG,J.PEZZUTO,A.KINGHORN |
| Literature Reference Citation | PLANTA.MED.,68,1125(2002) |
| Literature Reference DOI | 10.1055/s-2002-36354 |
| Molecular Weight | 721.161 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UIAP1869 |