| Properties | Image |
|---|
| MNX_ID | MNXM103365 |
 |
| reference | chebi:70270 |
| formula | C29H46O4 |
| global charge | 0 |
| mol weight | 458.683 |
| InChIKey | CKGAIIJMVWESST-LKJFLBAOSA-N |
| InChI | InChI=1S/C29H46O4/c1-18(30)32-23-12-14-26(4)21(25(23,2)3)11-16-28(6)22(26)9-8-19-20(10-15-27(19,28)5)29(7)17-13-24(31)33-29/h19-23H,8-17H2,1-7H3/t19-,20+,21+,22-,23-,26+,27-,28-,29+/m1/s1 |
| SMILES | CC(=O)O[C@@H]1CC[C@]2(C)[C@H]3CC[C@@H]4[C@@H]([C@]5(C)CCC(=O)O5)CC[C@@]4(C)[C@]3(C)CC[C@H]2C1(C)C |
MNX internals
| InChI (mnx) | InChI=1/C29H46O4/c1-18(30)32-23-12-14-26(4)21(25(23,2)3)11-16-28(6)22(26)9-8-19-20(10-15-27(19,28)5)29(7)17-13-24(31)33-29/h19-23H,8-17H2,1-7H3/t19-,20+,21+,22-,23-,26+,27-,28-,29+/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][C:18](=[O:30])[O:32][C@@H:23]1[CH2:12][CH2:14][C@@:26]2([CH3:4])[C@@H:21]([CH2:11][CH2:16][C@:28]3([CH3:6])[C@@H:22]2[CH2:9][CH2:8][C@@H:19]2[C@@H:20]([C@:29]4([CH3:7])[CH2:17][CH2:13][C:24](=[O:31])[O:33]4)[CH2:10][CH2:15][C@:27]23[CH3:5])[C:25]1([CH3:2])[CH3:3] |
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