| Properties | Image |
|---|
| MNX_ID | MNXM105049 |
 |
| reference | chebi:70680 |
| formula | C30H44O4 |
| global charge | 0 |
| mol weight | 468.678 |
| InChIKey | BHYFAPCVVRZAQZ-KYHYGKICSA-N |
| InChI | InChI=1S/C30H44O4/c1-17-7-11-28(24(33)34)13-14-30-16-29(30,22(28)18(17)2)12-9-21-26(5)15-19(31)23(32)25(3,4)20(26)8-10-27(21,30)6/h9,12,17,19-23,31-32H,2,7-8,10-11,13-16H2,1,3-6H3,(H,33,34)/t17-,19-,20+,21-,22-,23+,26+,27-,28+,29-,30-/m1/s1 |
| SMILES | C=C1[C@H](C)CC[C@]2(C(=O)O)CC[C@]34C[C@]3(C=C[C@@H]3[C@@]5(C)C[C@@H](O)[C@H](O)C(C)(C)[C@@H]5CC[C@]34C)[C@H]12 |
MNX internals
| InChI (mnx) | InChI=1/C30H44O4/c1-17-7-11-28(24(33)34)13-14-30-16-29(30,22(28)18(17)2)12-9-21-26(5)15-19(31)23(32)25(3,4)20(26)8-10-27(21,30)6/h9,12,17,19-23,31-32H,2,7-8,10-11,13-16H2,1,3-6H3,(H,33,34)/t17-,19-,20+,21-,22-,23+,26+,27-,28+,29-,30-/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][C@@H:17]1[CH2:7][CH2:11][C@:28]2([C:24](=[O:33])[OH:34])[CH2:13][CH2:14][C@:30]34[CH2:16][C@:29]3([CH:12]=[CH:9][C@@H:21]3[C@@:26]5([CH3:5])[CH2:15][C@@H:19]([OH:31])[C@H:23]([OH:32])[C:25]([CH3:3])([CH3:4])[C@@H:20]5[CH2:8][CH2:10][C@:27]34[CH3:6])[C@@H:22]2[C:18]1=[CH2:2] |
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