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NEW: Predict NMR spectrum
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| InChI: |
1S/C27H44O/c1-19(2)8-6-9-21(4)25-15-16-26-22(10-7-17-27(25,26)5)12-13-23-18-24(28)14-11-20(23)3/h12-13,19,21,24-26,28H,3,6-11,14-18H2,1-2,4-5H3/b22-12+,23-13- |
| InChIKey: |
QYSXJUFSXHHAJI-GGULSIJQSA-N |
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| H donor: |
1 |
| H acceptor: |
1 |
| Rotatable bond: |
6 |
| Stereocenter: |
5 |
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| cLogP: |
8.014 |
| cLogS: |
-5.995 |
| Polar surface: |
20.23 |
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