| Properties | Image |
|---|
| MNX_ID | MNXM40480 |
 |
| reference | chebi:2528 |
| formula | C27H44O7 |
| global charge | 0 |
| mol weight | 480.642 |
| InChIKey | LQGNCUXDDPRDJH-UKTRSHMFSA-N |
| InChI | InChI=1S/C27H44O7/c1-14(2)6-7-22(32)26(5,33)21-8-9-27(34)16-11-17(28)15-10-18(29)19(30)12-24(15,3)23(16)20(31)13-25(21,27)4/h11,14-15,18-23,29-34H,6-10,12-13H2,1-5H3/t15-,18+,19-,20+,21-,22+,23+,24-,25+,26+,27+/m0/s1 |
| SMILES | CC(C)CC[C@@H](O)[C@](C)(O)[C@H]1CC[C@@]2(O)C3=CC(=O)[C@@H]4C[C@@H](O)[C@@H](O)C[C@]4(C)[C@H]3[C@H](O)C[C@]12C |
MNX internals
| InChI (mnx) | InChI=1/C27H44O7/c1-14(2)6-7-22(32)26(5,33)21-8-9-27(34)16-11-17(28)15-10-18(29)19(30)12-24(15,3)23(16)20(31)13-25(21,27)4/h11,14-15,18-23,29-34H,6-10,12-13H2,1-5H3/t15-,18+,19-,20+,21-,22+,23+,24-,25+,26+,27+/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][CH:14]([CH3:2])[CH2:6][CH2:7][C@H:22]([C@@:26]([CH3:5])([C@H:21]1[CH2:8][CH2:9][C@@:27]2([OH:34])[C:16]3=[CH:11][C:17](=[O:28])[C@@H:15]4[CH2:10][C@@H:18]([OH:29])[C@@H:19]([OH:30])[CH2:12][C@:24]4([CH3:3])[C@H:23]3[C@H:20]([OH:31])[CH2:13][C@:25]12[CH3:4])[OH:33])[OH:32] |
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