| Properties | Image |
|---|
| MNX_ID | MNXM105024 |
 |
| reference | chebi:69714 |
| formula | C32H44O12 |
| global charge | 0 |
| mol weight | 620.692 |
| InChIKey | MEMULCZBXUZFOZ-FAUPFZBKSA-N |
| InChI | InChI=1S/C32H44O12/c1-15(2)27(38)42-24-16(3)13-32(44-20(7)36)23(24)26(40-17(4)33)31-14-39-30(10,28(32)41-18(5)34)25(31)21(11-12-22(31)37)29(8,9)43-19(6)35/h11-12,15-16,21,23-26,28H,13-14H2,1-10H3/t16-,21-,23+,24-,25-,26+,28?,30?,31+,32+/m0/s1 |
| SMILES | CC(=O)OC1[C@]2(C)OC[C@]3(C(=O)C=C[C@H](C(C)(C)OC(C)=O)[C@H]32)[C@H](OC(C)=O)[C@H]2[C@@H](OC(=O)C(C)C)[C@@H](C)C[C@]12OC(C)=O |
MNX internals
| InChI (mnx) | InChI=1/C32H44O12/c1-15(2)27(38)42-24-16(3)13-32(44-20(7)36)23(24)26(40-17(4)33)31-14-39-30(10,28(32)41-18(5)34)25(31)21(11-12-22(31)37)29(8,9)43-19(6)35/h11-12,15-16,21,23-26,28H,13-14H2,1-10H3/t16-,21-,23+,24-,25-,26+,28?,30?,31+,32+/m0/s1 |
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| SMILES (mnx) | [CH3:1][CH:15]([CH3:2])[C:27](=[O:38])[O:42][C@H:24]1[C@@H:16]([CH3:3])[CH2:13][C@@:32]2([O:44][C:20]([CH3:7])=[O:36])[C@H:23]1[C@@H:26]([O:40][C:17]([CH3:4])=[O:33])[C@@:31]13[CH2:14][O:39][C:30]([CH3:10])([C@@H:25]1[C@@H:21]([C:29]([CH3:8])([CH3:9])[O:43][C:19]([CH3:6])=[O:35])[CH:11]=[CH:12][C:22]3=[O:37])[CH:28]2[O:41][C:18]([CH3:5])=[O:34] |
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