(2S,3S,4S,5R,6R)-6-[[(6aR,6bS,8aS,12aR,14bR)-4,4,6a,6b,11,11,14b-heptamethyl-8a-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycarbonyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-4-[2-carboxy-1-(carboxymethoxy)-2-h structure
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Common Name | (2S,3S,4S,5R,6R)-6-[[(6aR,6bS,8aS,12aR,14bR)-4,4,6a,6b,11,11,14b-heptamethyl-8a-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycarbonyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-4-[2-carboxy-1-(carboxymethoxy)-2-h | ||
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| CAS Number | 168111-48-6 | Molecular Weight | 957.06300 | |
| Density | 1.45g/cm3 | Boiling Point | 1070.6ºC at 760mmHg | |
| Molecular Formula | C47H72O20 | Melting Point | N/A | |
| MSDS | N/A | Flash Point | 306.6ºC | |
| Name | (2S,3S,4S,5R,6R)-6-[[(6aR,6bS,8aS,12aR,14bR)-4,4,6a,6b,11,11,14b-heptamethyl-8a-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycarbonyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-4-[2-carboxy-1-(carboxymethoxy)-2-h |
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| Synonym | More Synonyms |
| Density | 1.45g/cm3 |
|---|---|
| Boiling Point | 1070.6ºC at 760mmHg |
| Molecular Formula | C47H72O20 |
| Molecular Weight | 957.06300 |
| Flash Point | 306.6ºC |
| Exact Mass | 956.46200 |
| PSA | 325.96000 |
| LogP | 1.30570 |
| Vapour Pressure | 0mmHg at 25°C |
| Index of Refraction | 1.617 |
| InChIKey | GNCYMXULNXKROG-SSBHQBQJSA-N |
| SMILES | CC1(C)CCC2(C(=O)OC3OC(CO)C(O)C(O)C3O)CCC3(C)C(=CCC4C5(C)CCC(OC6OC(C(=O)O)C(O)C(OC(OCC(=O)O)C(O)C(=O)O)C6O)C(C)(C)C5CCC43C)C2C1 |
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~87%
(2S,3S,4S,5R,6R... CAS#:168111-48-6 |
| Literature: Zhu, Shilei; Li, Yingxia; Yu, Biao Journal of Organic Chemistry, 2008 , vol. 73, # 13 p. 4978 - 4985 |
| (2S,3S,4S,5R,6R)-6-[[(6aR,6bS,8aS,12aR,14bR)-4,4,6a,6b,11,11,14b-heptamethyl-8a-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycarbonyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-4-[1-(carboxymethyloxy)-2,3-dihydroxy-3-oxopropoxy]-3,5-dihydroxyoxane-2-carboxylic acid |
| 2''-epi-betavulgaroside III |
| Betavulgaroside III |