![2H-3,11c-(Epoxymethano)phenanthro[10,1-bc]pyran, picras-3-en-21-oic acid deriv.](/api/spectrum/8SQVncUjyfu/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 | 6TtJdiIzFCs |
|---|---|
| InChI | InChI=1S/C26H34O12/c1-10-11-6-13-25-9-36-26(22(33)35-5,19(25)17(21(32)37-13)38-14(28)8-23(2,3)34)20(31)16(30)18(25)24(11,4)7-12(27)15(10)29/h11,13,16-20,29-31,34H,6-9H2,1-5H3/t11-,13+,16-,17+,18+,19+,20-,24-,25+,26-/m0/s1 |
| InChIKey | MPGYSNPPBGDFMG-MUMACWSTSA-N |
| Mol Weight | 538.5 g/mol |
| Molecular Formula | C26H34O12 |
| Exact Mass | 538.205027 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8SQVncUjyfu |
|---|---|
| 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 | 538.205026523 u |
| Formula | C26H34O12 |
| InChI | InChI=1S/C26H34O12/c1-10-11-6-13-25-9-36-26(22(33)35-5,19(25)17(21(32)37-13)38-14(28)8-23(2,3)34)20(31)16(30)18(25)24(11,4)7-12(27)15(10)29/h11,13,16-20,29-31,34H,6-9H2,1-5H3/t11-,13+,16-,17+,18+,19+,20-,24-,25+,26-/m0/s1 |
| InChIKey | MPGYSNPPBGDFMG-MUMACWSTSA-N |
| Molecular Weight | 538.546 g/mol |
| SMILES | [C@]12([C@]3([C@@]4([C@](C[C@@]5([C@@]([C@]4([C@@]([C@@]2(O)[H])(O)[H])[H])(CC(C(O)=C5C)=O)C)[H])([H])OC([C@@]3(OC(CC(O)(C)C)=O)[H])=O)CO1)[H])C(=O)OC |