| SpectraBase Compound ID | BMrYJ46xWQn |
|---|---|
| InChI | InChI=1S/C30H46O5/c1-17-9-12-30(25(34)35)14-13-28(5)19(23(30)18(17)2)7-8-22-26(3)15-20(32)24(33)27(4,16-31)21(26)10-11-29(22,28)6/h7,17,20-22,24,31-33H,8-16H2,1-6H3,(H,34,35)/t17-,20-,21-,22-,24-,26+,27+,28-,29-,30+/m1/s1 |
| InChIKey | VGQCVDQJFOPLQF-SHMFWSLPSA-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 | BzUyVDajb1A |
|---|---|
| Name | 2-ALPHA,3-ALPHA,23-TRIHYDROXY-URS-12,18-DIEN-28_OIC_ACID |
| Compound Number | 3A |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C30H46O5 |
| InChI | InChI=1S/C30H46O5/c1-17-9-12-30(25(34)35)14-13-28(5)19(23(30)18(17)2)7-8-22-26(3)15-20(32)24(33)27(4,16-31)21(26)10-11-29(22,28)6/h7,17,20-22,24,31-33H,8-16H2,1-6H3,(H,34,35)/t17-,20-,21-,22-,24-,26+,27+,28-,29-,30+/m1/s1 |
| InChIKey | VGQCVDQJFOPLQF-SHMFWSLPSA-N |
| Literature Reference Author | W.LI,H.FU,H.BAI,T.SASAKI,H.KATO,K.KOIKE |
| Literature Reference Citation | J.NAT.PROD.,72,1755(2009) |
| Literature Reference DOI | 10.1021/np900237a |
| Molecular Weight | 486.692 g/mol |
| Sample ID | 33617 |
| Solvent | C5D5N |