| Properties | Image |
|---|
| MNX_ID | MNXM732974 |
 |
| reference | biggM:CE2201 |
| formula | C27H44O3 |
| global charge | 0 |
| mol weight | 416.646 |
| InChIKey | JVBPQHSRTHJMLM-VZDUKWQBSA-N |
| InChI | InChI=1S/C27H44O3/c1-18-8-11-22(28)16-21(18)10-9-20-7-6-14-27(5)24(12-13-25(20)27)19(2)15-23(29)17-26(3,4)30/h9-10,19,22-25,28-30H,1,6-8,11-17H2,2-5H3/t19-,22+,23+,24-,25+,27-/m1/s1 |
| SMILES | C=C1CC[C@H](O)CC1=CC=C1CCC[C@]2(C)[C@@H]([C@H](C)C[C@H](O)CC(C)(C)O)CC[C@@H]12 |
MNX internals
| InChI (mnx) | InChI=1/C27H44O3/c1-18-8-11-22(28)16-21(18)10-9-20-7-6-14-27(5)24(12-13-25(20)27)19(2)15-23(29)17-26(3,4)30/h9-10,19,22-25,28-30H,1,6-8,11-17H2,2-5H3/b20-9?,21-10?/t19-,22+,23+,24-,25+,27-/m1/s1 |
 |
| SMILES (mnx) | [CH2:1]=[C:18]1[CH2:8][CH2:11][C@H:22]([OH:28])[CH2:16][C:21]1=[CH:10][CH:9]=[C:20]1[CH2:7][CH2:6][CH2:14][C@:27]2([CH3:5])[C@@H:24]([C@H:19]([CH3:2])[CH2:15][C@@H:23]([CH2:17][C:26]([CH3:3])([CH3:4])[OH:30])[OH:29])[CH2:12][CH2:13][C@@H:25]12 |
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