| SpectraBase Compound ID | 7trMC0ZiGLp |
|---|---|
| InChI | InChI=1S/C30H46O7/c1-25(2)11-13-30(24(36)37)14-12-27(4)16(20(30)22(25)33)7-8-18-26(3)15-17(31)21(32)29(6,23(34)35)19(26)9-10-28(18,27)5/h7,17-22,31-33H,8-15H2,1-6H3,(H,34,35)(H,36,37)/t17-,18-,19-,20-,21+,22+,26-,27-,28-,29+,30+/m1/s1 |
| InChIKey | BBJQJXRZAZWPBL-SOTYDYGCSA-N |
| Mol Weight | 518.7 g/mol |
| Molecular Formula | C30H46O7 |
| Exact Mass | 518.324354 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8aCn2K8O4Xm |
|---|---|
| Name | 2-ALPHA,3-BETA,19-ALPHA-TRIHYDROXY-OLEAN-12-ENE-23,28-DIOIC-ACID;F70.2.5 |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C30H46O7 |
| InChI | InChI=1S/C30H46O7/c1-25(2)11-13-30(24(36)37)14-12-27(4)16(20(30)22(25)33)7-8-18-26(3)15-17(31)21(32)29(6,23(34)35)19(26)9-10-28(18,27)5/h7,17-22,31-33H,8-15H2,1-6H3,(H,34,35)(H,36,37)/t17-,18-,19-,20-,21+,22+,26-,27-,28-,29+,30+/m1/s1 |
| InChIKey | BBJQJXRZAZWPBL-SOTYDYGCSA-N |
| Literature Reference Author | C.MILLS,A.R.CARROLL,R.J.QUINN |
| Literature Reference Citation | J.NAT.PROD.,68,311(2005) |
| Literature Reference DOI | 10.1021/np049741u |
| Molecular Weight | 518.691 g/mol |
| Solvent | DMSO-D6 |
| Source File Reference | UWMZ9329 |