| Properties | Image |
|---|
| MNX_ID | MNXM10006 |
 |
| reference | chebi:80531 |
| formula | C27H44O6 |
| global charge | 0 |
| mol weight | 464.643 |
| InChIKey | UPEZCKBFRMILAV-LVRQXCCVSA-N |
| InChI | InChI=1S/C27H44O6/c1-15(20(28)8-9-24(2,3)32)16-7-11-27(33)18-12-21(29)19-13-22(30)23(31)14-25(19,4)17(18)6-10-26(16,27)5/h12,15-17,19-20,22-23,28,30-33H,6-11,13-14H2,1-5H3/t15-,16+,17-,19-,20+,22-,23-,25+,26+,27+/m0/s1 |
| SMILES | C[C@H]([C@H](O)CCC(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]3CC[C@]12C |
MNX internals
| InChI (mnx) | InChI=1/C27H44O6/c1-15(20(28)8-9-24(2,3)32)16-7-11-27(33)18-12-21(29)19-13-22(30)23(31)14-25(19,4)17(18)6-10-26(16,27)5/h12,15-17,19-20,22-23,28,30-33H,6-11,13-14H2,1-5H3/t15-,16+,17-,19-,20+,22-,23-,25+,26+,27+/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][C@@H:15]([C@H:16]1[CH2:7][CH2:11][C@@:27]2([OH:33])[C:18]3=[CH:12][C:21](=[O:29])[C@@H:19]4[CH2:13][C@H:22]([OH:30])[C@@H:23]([OH:31])[CH2:14][C@:25]4([CH3:4])[C@H:17]3[CH2:6][CH2:10][C@:26]12[CH3:5])[C@@H:20]([CH2:8][CH2:9][C:24]([CH3:2])([CH3:3])[OH:32])[OH:28] |
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