| Properties | Image |
|---|
| MNX_ID | MNXM1372036 |
 |
| reference | keggC:C15803 |
| formula | C28H50O5 |
| global charge | 0 |
| mol weight | 466.703 |
| InChIKey | CVXIEYXJQSRIAC-NVHAJTKRSA-N |
| InChI | InChI=1S/C28H50O5/c1-14(2)15(3)25(32)26(33)16(4)18-7-8-19-17-11-22(29)21-12-23(30)24(31)13-28(21,6)20(17)9-10-27(18,19)5/h14-26,29-33H,7-13H2,1-6H3/t15-,16-,17-,18+,19?,20-,21+,22-,23-,24+,25+,26+,27+,28+/m0/s1 |
| SMILES | CC(C)[C@H](C)[C@@H](O)[C@H](O)[C@@H](C)[C@H]1CCC2[C@@H]3C[C@H](O)[C@H]4C[C@H](O)[C@H](O)C[C@]4(C)[C@H]3CC[C@@]21C |
MNX internals
| InChI (mnx) | InChI=1/C28H50O5/c1-14(2)15(3)25(32)26(33)16(4)18-7-8-19-17-11-22(29)21-12-23(30)24(31)13-28(21,6)20(17)9-10-27(18,19)5/h14-26,29-33H,7-13H2,1-6H3/t15-,16-,17-,18+,19?,20-,21+,22-,23-,24+,25+,26+,27+,28+/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][CH:14]([CH3:2])[C@H:15]([CH3:3])[C@H:25]([C@@H:26]([C@@H:16]([CH3:4])[C@H:18]1[CH2:7][CH2:8][CH:19]2[C@@H:17]3[CH2:11][C@H:22]([OH:29])[C@H:21]4[CH2:12][C@H:23]([OH:30])[C@H:24]([OH:31])[CH2:13][C@:28]4([CH3:6])[C@H:20]3[CH2:9][CH2:10][C@:27]12[CH3:5])[OH:33])[OH:32] |
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