| Properties | Image |
|---|
| MNX_ID | MNXM101691 |
 |
| reference | chebi:69576 |
| formula | C28H40O5 |
| global charge | 0 |
| mol weight | 456.623 |
| InChIKey | SZILVBCYKIZRPO-MOBNGVPASA-N |
| InChI | InChI=1S/C28H40O5/c1-15-6-11-27-13-12-25(4)24(3)10-7-16-23(2,9-8-18(29)26(16,5)31)20(24)19-21(32-19)28(25,17(27)14-15)33-22(27)30/h16-21,29,31H,1,6-14H2,2-5H3/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@](C)(O)[C@@H]2CC[C@]14C |
MNX internals
| InChI (mnx) | InChI=1/C28H40O5/c1-15-6-11-27-13-12-25(4)24(3)10-7-16-23(2,9-8-18(29)26(16,5)31)20(24)19-21(32-19)28(25,17(27)14-15)33-22(27)30/h16-21,29,31H,1,6-14H2,2-5H3/t16-,17-,18+,19+,20-,21+,23+,24-,25+,26-,27+,28-/m1/s1 |
 |
| SMILES (mnx) | [CH2:1]=[C:15]1[CH2:6][CH2:11][C@:27]23[CH2:13][CH2:12][C@@:25]4([CH3:4])[C@:24]5([CH3:3])[CH2:10][CH2:7][C@@H:16]6[C@:23]([CH3:2])([CH2:9][CH2:8][C@H:18]([OH:29])[C@:26]6([CH3:5])[OH:31])[C@H:20]5[C@H:19]5[C@@H:21]([C@@:28]4([C@@H:17]2[CH2:14]1)[O:33][C:22]3=[O:30])[O:32]5 |
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