| Properties | Image |
|---|
| MNX_ID | MNXM819803 |
 |
| reference | metacycM:CPD-11837 |
| formula | C28H48O3 |
| global charge | 0 |
| mol weight | 432.689 |
| InChIKey | JSVPGVHCEQDJCZ-FWIQQJMXSA-N |
| InChI | InChI=1S/C28H48O3/c1-16(2)17(3)13-25(30)18(4)21-7-8-22-20-15-26(31)24-14-19(29)9-11-28(24,6)23(20)10-12-27(21,22)5/h16-25,29-30H,7-15H2,1-6H3/t17-,18-,19-,20-,21+,22-,23-,24+,25-,27+,28+/m0/s1 |
| SMILES | CC(C)[C@@H](C)C[C@H](O)[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC(=O)[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C |
MNX internals
| InChI (mnx) | InChI=1/C28H48O3/c1-16(2)17(3)13-25(30)18(4)21-7-8-22-20-15-26(31)24-14-19(29)9-11-28(24,6)23(20)10-12-27(21,22)5/h16-25,29-30H,7-15H2,1-6H3/t17-,18-,19-,20-,21+,22-,23-,24+,25-,27+,28+/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][CH:16]([CH3:2])[C@@H:17]([CH3:3])[CH2:13][C@@H:25]([C@@H:18]([CH3:4])[C@H:21]1[CH2:7][CH2:8][C@H:22]2[C@@H:20]3[CH2:15][C:26](=[O:31])[C@H:24]4[CH2:14][C@@H:19]([OH:29])[CH2:9][CH2:11][C@:28]4([CH3:6])[C@H:23]3[CH2:10][CH2:12][C@:27]12[CH3:5])[OH:30] |
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