| SpectraBase Compound ID | A7sOafqV0lK |
|---|---|
| InChI | InChI=1S/C30H46O7/c1-25(2)10-11-29(24(36)37)12-13-30(16-31)17(18(29)14-25)6-7-20-26(3)15-19(32)22(33)28(5,23(34)35)21(26)8-9-27(20,30)4/h6,18-22,31-33H,7-16H2,1-5H3,(H,34,35)(H,36,37)/t18-,19-,20+,21+,22-,26+,27+,28-,29-,30-/m0/s1 |
| InChIKey | VGTALXLMFZXQSK-XIZCRSLYSA-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 | 9BQKOqD00HJ |
|---|---|
| Name | PRESENEGENIN;2-BETA,3-BETA,27-TRIHYDROXY-OLEAN-12-EN-23,28-DIOIC-ACID |
| Compound Number | 70 |
| 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)10-11-29(24(36)37)12-13-30(16-31)17(18(29)14-25)6-7-20-26(3)15-19(32)22(33)28(5,23(34)35)21(26)8-9-27(20,30)4/h6,18-22,31-33H,7-16H2,1-5H3,(H,34,35)(H,36,37)/t18-,19-,20+,21+,22-,26+,27+,28-,29-,30-/m0/s1 |
| InChIKey | VGTALXLMFZXQSK-XIZCRSLYSA-N |
| Literature Reference Author | S.B.MAHATO,A.P.KUNDU |
| Literature Reference Citation | PHYTOCHEM.,37,1517(1994) |
| Literature Reference DOI | 10.1016/S0031-9422(00)89569-2 |
| Molecular Weight | 518.691 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWMS5170 |