| Properties | Image |
|---|
| MNX_ID | MNXM106316 |
 |
| reference | chebi:66593 |
| formula | C30H44O3 |
| global charge | 0 |
| mol weight | 452.679 |
| InChIKey | KZOBOICRKKYGAQ-GOUGDUPLSA-N |
| InChI | InChI=1S/C30H44O3/c1-19(18-31)9-8-10-20(2)21-11-16-30(7)26-22(12-15-29(21,30)6)28(5)14-13-25(33)27(3,4)24(28)17-23(26)32/h9,18,20-21,24H,8,10-17H2,1-7H3/b19-9+/t20-,21-,24+,28-,29-,30+/m1/s1 |
| SMILES | C/C(C=O)=C\CC[C@@H](C)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)[C@@H]1CC3=O |
MNX internals
| InChI (mnx) | InChI=1/C30H44O3/c1-19(18-31)9-8-10-20(2)21-11-16-30(7)26-22(12-15-29(21,30)6)28(5)14-13-25(33)27(3,4)24(28)17-23(26)32/h9,18,20-21,24H,8,10-17H2,1-7H3/b19-9+/t20-,21-,24+,28-,29-,30+/m1/s1 |
 |
| SMILES (mnx) | [CH3:1]/[C:19](=[CH:9]\[CH2:8][CH2:10][C@@H:20]([CH3:2])[C@H:21]1[CH2:11][CH2:16][C@@:30]2([CH3:7])[C:26]3=[C:22]([CH2:12][CH2:15][C@:29]12[CH3:6])[C@@:28]1([CH3:5])[CH2:14][CH2:13][C:25](=[O:33])[C:27]([CH3:3])([CH3:4])[C@@H:24]1[CH2:17][C:23]3=[O:32])[CH:18]=[O:31] |
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