![Fornicatins A [4,7.beta.-Epoxy-28-hydroxy-11-oxo-3,4-seco-25,26,27-trinorlanosta-8-en-3,24-dioic acid]](/api/spectrum/J8Bbos9IlqE/structure.png?h=300&w=458 "Fornicatins A [4,7.beta.-Epoxy-28-hydroxy-11-oxo-3,4-seco-25,26,27-trinorlanosta-8-en-3,24-dioic acid]")
| SpectraBase Compound ID | LbLYSjU7tEZ |
|---|---|
| InChI | InChI=1S/C27H40O7/c1-15(6-7-20(30)31)16-8-11-25(3)23-18-12-19(27(5,14-28)34-18)24(2,10-9-21(32)33)22(23)17(29)13-26(16,25)4/h15-16,18-19,28H,6-14H2,1-5H3,(H,30,31)(H,32,33)/t15-,16-,18+,19-,24+,25+,26-,27-/m1/s1 |
| InChIKey | IABFUGDOHOVCEJ-MHSARYRJSA-N |
| Mol Weight | 476.6 g/mol |
| Molecular Formula | C27H40O7 |
| Exact Mass | 476.277404 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | J8Bbos9IlqE |
|---|---|
| Name | Fornicatins A [4,7.beta.-Epoxy-28-hydroxy-11-oxo-3,4-seco-25,26,27-trinorlanosta-8-en-3,24-dioic acid] |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C27H40O7 |
| InChI | InChI=1S/C27H40O7/c1-15(6-7-20(30)31)16-8-11-25(3)23-18-12-19(27(5,14-28)34-18)24(2,10-9-21(32)33)22(23)17(29)13-26(16,25)4/h15-16,18-19,28H,6-14H2,1-5H3,(H,30,31)(H,32,33)/t15-,16-,18+,19-,24+,25+,26-,27-/m1/s1 |
| InChIKey | IABFUGDOHOVCEJ-MHSARYRJSA-N |
| Molecular Weight | 476.610 g/mol |
| SMILES | OC(CC[C@]([C@]1(CC[C@]2(C3=C([C@]([C@@]4([C@@](CO)(O[C@]3(C4)[H])C)[H])(CCC(=O)O)C)C(C[C@]12C)=O)C)[H])(C)[H])=O |
| SPLASH | splash10-059i-6978000000-0370d5ec0cf6ec09863f |
| Source of Spectrum | Y1-45-2992-1 |
| Wiley ID | 1621913 |