| Properties | Image |
|---|
| MNX_ID | MNXM103815 |
 |
| reference | metacycM:CPD-14198 |
| formula | C27H44O2 |
| global charge | 0 |
| mol weight | 400.647 |
| InChIKey | YYRXEPHIVZZZRW-BSXOSYDZSA-N |
| InChI | InChI=1S/C27H44O2/c1-17(2)7-6-8-18(3)21-9-10-22-26(21,5)14-12-23-25(4)13-11-20(28)15-19(25)16-24-27(22,23)29-24/h16-18,20-24,28H,6-15H2,1-5H3/t18-,20+,21-,22-,23-,24-,25+,26-,27+/m1/s1 |
| SMILES | CC(C)CCC[C@@H](C)[C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@@]23O[C@@H]3C=C2C[C@@H](O)CC[C@@]21C |
MNX internals
| InChI (mnx) | InChI=1/C27H44O2/c1-17(2)7-6-8-18(3)21-9-10-22-26(21,5)14-12-23-25(4)13-11-20(28)15-19(25)16-24-27(22,23)29-24/h16-18,20-24,28H,6-15H2,1-5H3/t18-,20+,21-,22-,23-,24-,25+,26-,27+/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][CH:17]([CH3:2])[CH2:7][CH2:6][CH2:8][C@@H:18]([CH3:3])[C@H:21]1[CH2:9][CH2:10][C@@H:22]2[C@:26]1([CH3:5])[CH2:14][CH2:12][C@@H:23]1[C@@:25]3([CH3:4])[CH2:13][CH2:11][C@H:20]([OH:28])[CH2:15][C:19]3=[CH:16][C@@H:24]3[C@:27]21[O:29]3 |
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