| Properties | Image |
|---|
| MNX_ID | MNXM47603 |
 |
| reference | chebi:185340 |
| formula | C27H44O6 |
| global charge | 0 |
| mol weight | 464.643 |
| InChIKey | FLDVFDQHJBXYFP-PBVSVCIJSA-N |
| InChI | InChI=1S/C27H44O6/c1-14-5-10-27(32-13-14)15(2)22-20(33-27)11-18-16-6-9-26(31)23(30)19(28)12-21(29)25(26,4)17(16)7-8-24(18,22)3/h14-23,28-31H,5-13H2,1-4H3/t14-,15-,16+,17-,18-,19-,20-,21+,22-,23-,24-,25-,26-,27+/m0/s1 |
| SMILES | C[C@H]1CC[C@@]2(OC1)O[C@H]1C[C@H]3[C@@H]4CC[C@]5(O)[C@@H](O)[C@@H](O)C[C@@H](O)[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C |
MNX internals
| InChI (mnx) | InChI=1/C27H44O6/c1-14-5-10-27(32-13-14)15(2)22-20(33-27)11-18-16-6-9-26(31)23(30)19(28)12-21(29)25(26,4)17(16)7-8-24(18,22)3/h14-23,28-31H,5-13H2,1-4H3/t14-,15-,16+,17-,18-,19-,20-,21+,22-,23-,24-,25-,26-,27+/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][C@H:14]1[CH2:5][CH2:10][C@@:27]2([C@@H:15]([CH3:2])[C@H:22]3[C@H:20]([CH2:11][C@H:18]4[C@@H:16]5[CH2:6][CH2:9][C@:26]6([OH:31])[C@@H:23]([OH:30])[C@@H:19]([OH:28])[CH2:12][C@@H:21]([OH:29])[C@:25]6([CH3:4])[C@H:17]5[CH2:7][CH2:8][C@@:24]43[CH3:3])[O:33]2)[O:32][CH2:13]1 |
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