| Properties | Image |
|---|
| MNX_ID | MNXM108527 |
 |
| reference | chebi:67963 |
| formula | C30H50O4 |
| global charge | 0 |
| mol weight | 474.726 |
| InChIKey | HNKBWPYYJWLMQY-ZEZQLZSKSA-N |
| InChI | InChI=1S/C30H50O4/c1-25(2)11-8-12-28(6)23(25)21(33)16-29(7)24(28)20(32)15-22-27(5)13-9-18(26(3,4)34)19(27)10-14-30(22,29)17-31/h17-24,32-34H,8-16H2,1-7H3/t18-,19-,20+,21+,22+,23-,24+,27-,28-,29+,30-/m0/s1 |
| SMILES | CC(C)(O)[C@H]1CC[C@]2(C)[C@H]3C[C@@H](O)[C@@H]4[C@@]5(C)CCCC(C)(C)[C@@H]5[C@H](O)C[C@@]4(C)[C@]3(C=O)CC[C@@H]12 |
MNX internals
| InChI (mnx) | InChI=1/C30H50O4/c1-25(2)11-8-12-28(6)23(25)21(33)16-29(7)24(28)20(32)15-22-27(5)13-9-18(26(3,4)34)19(27)10-14-30(22,29)17-31/h17-24,32-34H,8-16H2,1-7H3/t18-,19-,20+,21+,22+,23-,24+,27-,28-,29+,30-/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][C:25]1([CH3:2])[CH2:11][CH2:8][CH2:12][C@@:28]2([CH3:6])[C@H:23]1[C@H:21]([OH:33])[CH2:16][C@:29]1([CH3:7])[C@@H:24]2[C@H:20]([OH:32])[CH2:15][C@@H:22]2[C@@:27]3([CH3:5])[CH2:13][CH2:9][C@H:18]([C:26]([CH3:3])([CH3:4])[OH:34])[C@@H:19]3[CH2:10][CH2:14][C@:30]21[CH:17]=[O:31] |
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