| SpectraBase Compound ID | 6kLPjafFnQU |
|---|---|
| InChI | InChI=1S/C30H46O5/c1-18(17-31)8-7-9-19(26(34)35)25-22(32)16-30(6)21-10-11-23-27(2,3)24(33)13-14-28(23,4)20(21)12-15-29(25,30)5/h8,10,12,19,22-25,31-33H,7,9,11,13-17H2,1-6H3,(H,34,35)/b18-8-/t19?,22-,23+,24-,25+,28-,29-,30+/m1/s1 |
| InChIKey | PJJIWWUPWPLBRE-QECDJOQQSA-N |
| Mol Weight | 486.7 g/mol |
| Molecular Formula | C30H46O5 |
| Exact Mass | 486.334525 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2HsxcRhk3Is |
|---|---|
| Name | 16-ALPHA,27-DIHYDROXYDEHYDROTRAMETENOIC_ACID;(20-ZETA)-3-ALPHA,16-ALPHA,27-TRIHYDROXYLANOSTA-7,9-(11),24-TRIEN-21-OIC_ACID |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C30H46O5 |
| InChI | InChI=1S/C30H46O5/c1-18(17-31)8-7-9-19(26(34)35)25-22(32)16-30(6)21-10-11-23-27(2,3)24(33)13-14-28(23,4)20(21)12-15-29(25,30)5/h8,10,12,19,22-25,31-33H,7,9,11,13-17H2,1-6H3,(H,34,35)/b18-8-/t19?,22-,23+,24-,25+,28-,29-,30+/m1/s1 |
| InChIKey | PJJIWWUPWPLBRE-QECDJOQQSA-N |
| Literature Reference Author | T.AKIHISA,E.UCHIYAMA,T.KIKUCHI,H.TOKUDA,T.SUZUKI,Y.KIMURA |
| Literature Reference Citation | J.NAT.PROD.,72,1786(2009) |
| Literature Reference DOI | 10.1021/np9003239 |
| Molecular Weight | 486.692 g/mol |
| Sample ID | 33661 |
| Solvent | C5D5N |