| Properties | Image |
|---|
| MNX_ID | MNXM50674 |
 |
| reference | chebi:187109 |
| formula | C27H44O4 |
| global charge | 0 |
| mol weight | 432.645 |
| InChIKey | DTLPXUYYRJZGLM-VCUHZSQTSA-N |
| InChI | InChI=1S/C27H44O4/c1-15-7-12-27(30-14-15)16(2)21-24(31-27)23(29)22-19-6-5-17-13-18(28)8-10-25(17,3)20(19)9-11-26(21,22)4/h15-24,28-29H,5-14H2,1-4H3/t15-,16+,17+,18+,19-,20+,21+,22-,23+,24-,25+,26-,27-/m1/s1 |
| SMILES | C[C@@H]1CC[C@@]2(OC1)O[C@H]1[C@@H](O)[C@H]3[C@@H]4CC[C@H]5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C |
MNX internals
| InChI (mnx) | InChI=1/C27H44O4/c1-15-7-12-27(30-14-15)16(2)21-24(31-27)23(29)22-19-6-5-17-13-18(28)8-10-25(17,3)20(19)9-11-26(21,22)4/h15-24,28-29H,5-14H2,1-4H3/t15-,16+,17+,18+,19-,20+,21+,22-,23+,24-,25+,26-,27-/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][C@@H:15]1[CH2:7][CH2:12][C@@:27]2([C@@H:16]([CH3:2])[C@H:21]3[C@H:24]([C@@H:23]([OH:29])[C@H:22]4[C@@H:19]5[CH2:6][CH2:5][C@H:17]6[CH2:13][C@@H:18]([OH:28])[CH2:8][CH2:10][C@:25]6([CH3:3])[C@H:20]5[CH2:9][CH2:11][C@:26]34[CH3:4])[O:31]2)[O:30][CH2:14]1 |
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