| Properties | Image |
|---|
| MNX_ID | MNXM106696 |
 |
| reference | chebi:67570 |
| formula | C29H42O5 |
| global charge | 0 |
| mol weight | 470.65 |
| InChIKey | INZKQBNBXNYQRQ-MOFMAXGTSA-N |
| InChI | InChI=1S/C29H42O5/c1-16-6-11-24(34-27(16)32)17(2)22-9-10-23-21-8-7-19-14-20(31)12-13-28(19,4)26(21)25(33-18(3)30)15-29(22,23)5/h14,16-17,21-26H,6-13,15H2,1-5H3/t16-,17-,21-,22+,23-,24+,25+,26+,28-,29+/m0/s1 |
| SMILES | CC(=O)O[C@@H]1C[C@]2(C)[C@@H]([C@H](C)[C@H]3CC[C@H](C)C(=O)O3)CC[C@H]2[C@@H]2CCC3=CC(=O)CC[C@]3(C)[C@H]21 |
MNX internals
| InChI (mnx) | InChI=1/C29H42O5/c1-16-6-11-24(34-27(16)32)17(2)22-9-10-23-21-8-7-19-14-20(31)12-13-28(19,4)26(21)25(33-18(3)30)15-29(22,23)5/h14,16-17,21-26H,6-13,15H2,1-5H3/t16-,17-,21-,22+,23-,24+,25+,26+,28-,29+/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][C@H:16]1[CH2:6][CH2:11][C@H:24]([C@@H:17]([CH3:2])[C@H:22]2[CH2:9][CH2:10][C@H:23]3[C@@H:21]4[CH2:8][CH2:7][C:19]5=[CH:14][C:20](=[O:31])[CH2:12][CH2:13][C@:28]5([CH3:4])[C@H:26]4[C@H:25]([O:33][C:18]([CH3:3])=[O:30])[CH2:15][C@:29]23[CH3:5])[O:34][C:27]1=[O:32] |
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