| Properties | Image |
|---|
| MNX_ID | MNXM101698 |
 |
| reference | chebi:70275 |
| formula | C30H50O3 |
| global charge | 0 |
| mol weight | 458.727 |
| InChIKey | RHHDOPOBWMUHDL-HVZYUJLJSA-N |
| InChI | InChI=1S/C30H50O3/c1-19(9-12-25(32)27(4,5)33)20-13-17-29(7)21(20)10-11-23-28(6)16-15-24(31)26(2,3)22(28)14-18-30(23,29)8/h20-23,25,32-33H,1,9-18H2,2-8H3/t20-,21-,22+,23-,25?,28+,29-,30-/m1/s1 |
| SMILES | C=C(CCC(O)C(C)(C)O)[C@H]1CC[C@]2(C)[C@@H]1CC[C@@H]1[C@@]3(C)CCC(=O)C(C)(C)[C@@H]3CC[C@]12C |
MNX internals
| InChI (mnx) | InChI=1/C30H50O3/c1-19(9-12-25(32)27(4,5)33)20-13-17-29(7)21(20)10-11-23-28(6)16-15-24(31)26(2,3)22(28)14-18-30(23,29)8/h20-23,25,32-33H,1,9-18H2,2-8H3/t20-,21-,22+,23-,25?,28+,29-,30-/m1/s1 |
 |
| SMILES (mnx) | [CH2:1]=[C:19]([CH2:9][CH2:12][CH:25]([C:27]([CH3:4])([CH3:5])[OH:33])[OH:32])[C@H:20]1[CH2:13][CH2:17][C@:29]2([CH3:7])[C@@H:21]1[CH2:10][CH2:11][C@@H:23]1[C@@:28]3([CH3:6])[CH2:16][CH2:15][C:24](=[O:31])[C:26]([CH3:2])([CH3:3])[C@@H:22]3[CH2:14][CH2:18][C@:30]12[CH3:8] |
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