| SpectraBase Compound ID | KrW8mz7teQE |
|---|---|
| InChI | InChI=1S/C29H44O3/c1-17-8-13-29(32)15-14-27(6)19(23(29)18(17)2)16-20(30)24-26(5)11-10-22(31)25(3,4)21(26)9-12-28(24,27)7/h16-18,21,23-24,32H,8-15H2,1-7H3/t17-,18+,21+,23+,24-,26+,27-,28-,29+/m1/s1 |
| InChIKey | ZTILFJMHCZASCV-KDSNIASYSA-N |
| Mol Weight | 440.7 g/mol |
| Molecular Formula | C29H44O3 |
| Exact Mass | 440.329045 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | LiBKVxgZ3Pz |
|---|---|
| Name | Krukovine E |
| Alternate Name(s) | (4aR,6aR,6bS,8aS,11R,12S,12aS,14aR,14bS)-4,4,6a,6b,11,12,14b-heptamethyl-8a-oxidanyl-2,4a,5,6,7,8,9,10,11,12,12a,14a-dodecahydro-1H-picene-3,14-dione 17-Hydroxy-20-nor-urs-12-ene-3,11-dione (4aR,6aR,6bS,8aS,11R,12S,12aS,14aR,14bS)-8a-hydroxy-4,4,6a,6b,11,12,14b-heptamethyl-2,4a,5,6,7,8,9,10,11,12,12a,14a-dodecahydro-1H-picene-3,14-dione (4aR,6aR,6bS,8aS,11R,12S,12aS,14aR,14bS)-8a-hydroxy-4,4,6a,6b,11,12,14b-heptamethyl-2,4a,5,6,7,8,9,10,11,12,12a,14a-dodecahydro-1H-picene-3,14-quinone |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C29H44O3 |
| InChI | InChI=1S/C29H44O3/c1-17-8-13-29(32)15-14-27(6)19(23(29)18(17)2)16-20(30)24-26(5)11-10-22(31)25(3,4)21(26)9-12-28(24,27)7/h16-18,21,23-24,32H,8-15H2,1-7H3/t17-,18+,21+,23+,24-,26+,27-,28-,29+/m1/s1 |
| InChIKey | ZTILFJMHCZASCV-KDSNIASYSA-N |
| Molecular Weight | 440.668 g/mol |
| SMILES | O[C@]12[C@](C=3[C@]([C@@]4(CC[C@@]5([C@@]([C@]4(C(C3)=O)[H])(CCC(=O)C5(C)C)C)[H])C)(CC1)C)([C@]([C@@](CC2)(C)[H])(C)[H])[H] |
| SPLASH | splash10-00ai-0090500000-6033798f94c8b4bf4434 |
| Source of Spectrum | Va-0-0-0 |
| Wiley ID | 741352 |