![2H-3,11c-(Epoxymethano)phenanthro[10,1-bc]pyran, picras-3-en-21-oic acid deriv.](/api/spectrum/Ixqi8RRsIe9/structure.png?h=300&w=458 "2H-3,11c-(Epoxymethano)phenanthro[10,1-bc]pyran, picras-3-en-21-oic acid deriv.")
| SpectraBase Compound ID | DIlvjVZhNON |
|---|---|
| InChI | InChI=1S/C23H30O11/c1-8-5-11(25)17(27)21(3)10(8)6-12-22-7-32-23(20(30)31-4,18(28)13(26)15(21)22)16(22)14(19(29)34-12)33-9(2)24/h5,10-18,25-28H,6-7H2,1-4H3/t10-,11-,12+,13+,14+,15+,16+,17+,18-,21-,22+,23-/m0/s1 |
| InChIKey | TWCMVXMQHSVIOJ-QPJGVDTHSA-N |
| Mol Weight | 482.48 g/mol |
| Molecular Formula | C23H30O11 |
| Exact Mass | 482.178812 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Ixqi8RRsIe9 |
|---|---|
| Name | 2H-3,11C-(Epoxymethano)phenanthro[10,1-bc]pyran, picras-3-en-21-oic acid deriv. |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 482.178811775 u |
| Formula | C23H30O11 |
| InChI | InChI=1S/C23H30O11/c1-8-5-11(25)17(27)21(3)10(8)6-12-22-7-32-23(20(30)31-4,18(28)13(26)15(21)22)16(22)14(19(29)34-12)33-9(2)24/h5,10-18,25-28H,6-7H2,1-4H3/t10-,11-,12+,13+,14+,15+,16+,17+,18-,21-,22+,23-/m0/s1 |
| InChIKey | TWCMVXMQHSVIOJ-QPJGVDTHSA-N |
| Molecular Weight | 482.482 g/mol |
| SMILES | [C@]12([C@]3([C@@]4([C@](C[C@@]5([C@@]([C@]4([C@]([C@@]2(O)[H])(O)[H])[H])([C@@]([C@](C=C5C)(O)[H])(O)[H])C)[H])([H])OC([C@@]3(OC(=O)C)[H])=O)CO1)[H])C(=O)OC |