| Properties | Image |
|---|
| MNX_ID | MNXM481829 |
 |
| reference | metacycM:CPD-18643 |
| formula | C27H46O3 |
| global charge | 0 |
| mol weight | 418.662 |
| InChIKey | YDFJGPFMKWECQA-RILARPOQSA-N |
| InChI | InChI=1S/C27H46O3/c1-17(16-28)5-10-25(30)18(2)22-8-9-23-21-7-6-19-15-20(29)11-13-26(19,3)24(21)12-14-27(22,23)4/h6,17-18,20-25,28-30H,5,7-16H2,1-4H3/t17?,18-,20-,21-,22+,23-,24-,25+,26-,27+/m0/s1 |
| SMILES | CC(CO)CC[C@@H](O)[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C |
MNX internals
| InChI (mnx) | InChI=1/C27H46O3/c1-17(16-28)5-10-25(30)18(2)22-8-9-23-21-7-6-19-15-20(29)11-13-26(19,3)24(21)12-14-27(22,23)4/h6,17-18,20-25,28-30H,5,7-16H2,1-4H3/t17?,18-,20-,21-,22+,23-,24-,25+,26-,27+/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][CH:17]([CH2:5][CH2:10][C@H:25]([C@@H:18]([CH3:2])[C@H:22]1[CH2:8][CH2:9][C@H:23]2[C@@H:21]3[CH2:7][CH:6]=[C:19]4[CH2:15][C@@H:20]([OH:29])[CH2:11][CH2:13][C@:26]4([CH3:3])[C@H:24]3[CH2:12][CH2:14][C@:27]12[CH3:4])[OH:30])[CH2:16][OH:28] |
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