| Properties | Image |
|---|
| MNX_ID | MNXM107521 |
 |
| reference | chebi:69586 |
| formula | C28H40O6 |
| global charge | 0 |
| mol weight | 472.622 |
| InChIKey | QUSTXILFWOVTCK-WEEWHIELSA-N |
| InChI | InChI=1S/C28H40O6/c1-15-5-10-26-12-11-25(4)24(3)9-6-16-23(2,8-7-18(30)27(16,32)14-29)20(24)19-21(33-19)28(25,17(26)13-15)34-22(26)31/h16-21,29-30,32H,1,5-14H2,2-4H3/t16-,17-,18+,19+,20-,21+,23+,24-,25+,26+,27-,28-/m1/s1 |
| SMILES | C=C1CC[C@@]23CC[C@]4(C)[C@@](OC2=O)([C@@H]3C1)[C@H]1O[C@H]1[C@@H]1[C@@]2(C)CC[C@H](O)[C@@](O)(CO)[C@@H]2CC[C@]14C |
MNX internals
| InChI (mnx) | InChI=1/C28H40O6/c1-15-5-10-26-12-11-25(4)24(3)9-6-16-23(2,8-7-18(30)27(16,32)14-29)20(24)19-21(33-19)28(25,17(26)13-15)34-22(26)31/h16-21,29-30,32H,1,5-14H2,2-4H3/t16-,17-,18+,19+,20-,21+,23+,24-,25+,26+,27-,28-/m1/s1 |
 |
| SMILES (mnx) | [CH2:1]=[C:15]1[CH2:5][CH2:10][C@:26]23[CH2:12][CH2:11][C@@:25]4([CH3:4])[C@:24]5([CH3:3])[CH2:9][CH2:6][C@@H:16]6[C@:23]([CH3:2])([CH2:8][CH2:7][C@H:18]([OH:30])[C@:27]6([CH2:14][OH:29])[OH:32])[C@H:20]5[C@H:19]5[C@@H:21]([C@@:28]4([C@@H:17]2[CH2:13]1)[O:34][C:22]3=[O:31])[O:33]5 |
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