| SpectraBase Compound ID | FF4uShVjTow |
|---|---|
| InChI | InChI=1S/C30H46O4/c1-17-8-11-30(16-31)13-12-28(6)19(23(30)18(17)2)14-20(32)25-27(5)10-9-22(34)26(3,4)24(27)21(33)15-29(25,28)7/h14,17-18,21,23-25,31,33H,8-13,15-16H2,1-7H3/t17-,18+,21-,23+,24?,25-,27+,28-,29-,30-/m1/s1 |
| InChIKey | UYDDVJHHNGAHKQ-OCJXAMGASA-N |
| Mol Weight | 470.7 g/mol |
| Molecular Formula | C30H46O4 |
| Exact Mass | 470.33961 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | ETqA9c2BQqo |
|---|---|
| Name | Krukovine D |
| Alternate Name(s) | (6beta,9alpha)-6,28-dihydroxyurs-12-ene-3,11-dione 6.beta.,28-Dihydroxyurs-12-ene-3,11-dione |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C30H46O4 |
| InChI | InChI=1S/C30H46O4/c1-17-8-11-30(16-31)13-12-28(6)19(23(30)18(17)2)14-20(32)25-27(5)10-9-22(34)26(3,4)24(27)21(33)15-29(25,28)7/h14,17-18,21,23-25,31,33H,8-13,15-16H2,1-7H3/t17-,18+,21-,23+,24?,25-,27+,28-,29-,30-/m1/s1 |
| InChIKey | UYDDVJHHNGAHKQ-OCJXAMGASA-N |
| Molecular Weight | 470.694 g/mol |
| SMILES | OC[C@]12CC[C@]([C@@]([C@]1(C=1[C@]([C@]3([C@@]([C@]4(CCC(C(C4[C@@](C3)(O)[H])(C)C)=O)C)(C(C1)=O)[H])C)(CC2)C)[H])(C)[H])(C)[H] |
| SPLASH | splash10-0002-0090500000-63bc926c871291f4d386 |
| Source of Spectrum | G4-59-1074-4 |
| Wiley ID | 1606550 |