| Properties | Image |
|---|
| MNX_ID | MNXM30100 |
 |
| reference | chebi:137131 |
| formula | C25H40O3 |
| global charge | 0 |
| mol weight | 388.592 |
| InChIKey | TVZPMYDGQOHLDW-VMCJJPMPSA-N |
| InChI | InChI=1S/C25H40O3/c1-22(2)10-6-11-23(3)16(22)9-12-24(4)17-8-7-15-14-28-21(27)20(15)25(17,5)19(26)13-18(23)24/h7,16-21,26-27H,6,8-14H2,1-5H3/t16?,17?,18?,19-,20+,21+,23-,24-,25+/m0/s1 |
| SMILES | CC1(C)CCC[C@@]2(C)C1CC[C@]1(C)C2C[C@H](O)[C@@]2(C)C1CC=C1CO[C@@H](O)[C@@H]12 |
MNX internals
| InChI (mnx) | InChI=1/C25H40O3/c1-22(2)10-6-11-23(3)16(22)9-12-24(4)17-8-7-15-14-28-21(27)20(15)25(17,5)19(26)13-18(23)24/h7,16-21,26-27H,6,8-14H2,1-5H3/t16?,17?,18?,19-,20+,21+,23-,24-,25+/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][C:22]1([CH3:2])[CH2:10][CH2:6][CH2:11][C@@:23]2([CH3:3])[CH:16]1[CH2:9][CH2:12][C@@:24]1([CH3:4])[CH:17]3[CH2:8][CH:7]=[C:15]4[CH2:14][O:28][C@@H:21]([OH:27])[C@@H:20]4[C@@:25]3([CH3:5])[C@@H:19]([OH:26])[CH2:13][CH:18]21 |
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