| Properties | Image |
|---|
| MNX_ID | MNXM14805 |
 |
| reference | metacycM:CPD-4182 |
| formula | C29H50O |
| global charge | 0 |
| mol weight | 414.718 |
| InChIKey | IXVNEXDHXGHWLS-PMIIOQGLSA-N |
| InChI | InChI=1S/C29H50O/c1-19(2)9-8-10-20(3)22-13-17-29(7)25-12-11-23-21(4)26(30)15-16-27(23,5)24(25)14-18-28(22,29)6/h19-23,26,30H,8-18H2,1-7H3/t20-,21+,22-,23+,26+,27+,28-,29+/m1/s1 |
| SMILES | CC(C)CCC[C@@H](C)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)[C@@H](C)[C@@H]1CC3 |
MNX internals
| InChI (mnx) | InChI=1/C29H50O/c1-19(2)9-8-10-20(3)22-13-17-29(7)25-12-11-23-21(4)26(30)15-16-27(23,5)24(25)14-18-28(22,29)6/h19-23,26,30H,8-18H2,1-7H3/t20-,21+,22-,23+,26+,27+,28-,29+/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][CH:19]([CH3:2])[CH2:9][CH2:8][CH2:10][C@@H:20]([CH3:3])[C@H:22]1[CH2:13][CH2:17][C@@:29]2([CH3:7])[C:25]3=[C:24]([CH2:14][CH2:18][C@:28]12[CH3:6])[C@@:27]1([CH3:5])[CH2:16][CH2:15][C@H:26]([OH:30])[C@@H:21]([CH3:4])[C@@H:23]1[CH2:11][CH2:12]3 |
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