(2S)-1-[(2E)-2-[(2S)-2,6-dicarboxy-2,3-dihydro-1H-pyridin-4-ylidene]ethylidene]-5-hydroxy-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxymethyl]oxan-2-yl]oxy-2,3-dihydroindol-1-ium-2-carboxylate
Modify Date: 2025-08-25 17:00:10
![(2S)-1-[(2E)-2-[(2S)-2,6-dicarboxy-2,3-dihydro-1H-pyridin-4-ylidene]ethylidene]-5-hydroxy-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxymethyl]oxan-2-yl]oxy-2,3-dihydroindol-1-ium-2-carboxylate Structure](https://image.chemsrc.com/caspic/146/16955-52-5.png)
(2S)-1-[(2E)-2-[(2S)-2,6-dicarboxy-2,3-dihydro-1H-pyridin-4-ylidene]ethylidene]-5-hydroxy-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxymethyl]oxan-2-yl]oxy-2,3-dihydroindol-1-ium-2-carboxylate structure
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Common Name | (2S)-1-[(2E)-2-[(2S)-2,6-dicarboxy-2,3-dihydro-1H-pyridin-4-ylidene]ethylidene]-5-hydroxy-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxymethyl]oxan-2-yl]oxy-2,3-dihydroindol-1-ium-2-carboxylate | ||
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| CAS Number | 16955-52-5 | Molecular Weight | 726.63800 | |
| Density | N/A | Boiling Point | N/A | |
| Molecular Formula | C34H34N2O16 | Melting Point | N/A | |
| MSDS | N/A | Flash Point | N/A | |
| Name | (2S)-1-[(2E)-2-[(2S)-2,6-dicarboxy-2,3-dihydro-1H-pyridin-4-ylidene]ethylidene]-5-hydroxy-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxymethyl]oxan-2-yl]oxy-2,3-dihydroindol-1-ium-2-carboxylate |
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| Synonym | More Synonyms |
| Molecular Formula | C34H34N2O16 |
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| Molecular Weight | 726.63800 |
| Exact Mass | 726.19100 |
| PSA | 284.91000 |
| LogP | 0.34070 |
| InChIKey | PZVSGHKONASTEC-WPUGSIMNSA-N |
| SMILES | COc1cc(C=CC(=O)OCC2OC(Oc3cc4c(cc3O)CC(C(=O)[O-])[N+]4=CC=C3C=C(C(=O)O)NC(C(=O)O)C3)C(O)C(O)C2O)ccc1O |
| Gomphrenin-V |