| SpectraBase Compound ID | C8zu4pR5KdB |
|---|---|
| InChI | InChI=1S/C30H48O5/c1-17(2)21(31)10-8-18(26(34)35)25-22(32)16-30(7)20-9-11-23-27(3,4)24(33)13-14-28(23,5)19(20)12-15-29(25,30)6/h17-18,22-25,32-33H,8-16H2,1-7H3,(H,34,35)/t18-,22+,23-,24+,25-,28+,29+,30-/m0/s1 |
| InChIKey | IDFNQSYCBZBJRE-OUHDYQIPSA-N |
| Mol Weight | 488.7 g/mol |
| Molecular Formula | C30H48O5 |
| Exact Mass | 488.350175 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6yzXD6ufPHQ |
|---|---|
| Name | DAEDALEANIC_ACID_B;3-ALPHA,16-ALPHA-DIHYDROXY-24-OXOLANOSTA-8-EN-21-OIC_ACID |
| Compound Number | 7 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C30H48O5 |
| InChI | InChI=1S/C30H48O5/c1-17(2)21(31)10-8-18(26(34)35)25-22(32)16-30(7)20-9-11-23-27(3,4)24(33)13-14-28(23,5)19(20)12-15-29(25,30)6/h17-18,22-25,32-33H,8-16H2,1-7H3,(H,34,35)/t18-,22+,23-,24+,25-,28+,29+,30-/m0/s1 |
| InChIKey | IDFNQSYCBZBJRE-OUHDYQIPSA-N |
| Literature Reference Author | K.YOSHIKAWA,K.KOUSO,J.TAKAHASHI,A.MATSUDA,M.OKAZOE,A.UMEYAMA ,S.ARIHARA |
| Literature Reference Citation | J.NAT.PROD.,68,911(2005) |
| Literature Reference DOI | 10.1021/np058024c |
| Molecular Weight | 488.708 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWMZ11621 |