| Properties | Image |
|---|
| MNX_ID | MNXM512160 |
 |
| reference | metacycM:CPD-18645 |
| formula | C27H42O4 |
| global charge | 0 |
| mol weight | 430.629 |
| InChIKey | CKJPUEYKSFDFTJ-VVDGRPBXSA-N |
| InChI | InChI=1S/C27H42O4/c1-16(15-28)7-12-27(30)17(2)24-23(31-27)14-22-20-6-5-18-13-19(29)8-10-25(18,3)21(20)9-11-26(22,24)4/h5,15-17,19-24,29-30H,6-14H2,1-4H3/t16?,17-,19-,20+,21-,22?,23-,24?,25-,26-,27?/m0/s1 |
| SMILES | CC(C=O)CCC1(O)O[C@H]2CC3[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)C2[C@@H]1C |
MNX internals
| InChI (mnx) | InChI=1/C27H42O4/c1-16(15-28)7-12-27(30)17(2)24-23(31-27)14-22-20-6-5-18-13-19(29)8-10-25(18,3)21(20)9-11-26(22,24)4/h5,15-17,19-24,29-30H,6-14H2,1-4H3/t16?,17-,19-,20+,21-,22?,23-,24?,25-,26-,27?/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][CH:16]([CH2:7][CH2:12][C:27]1([OH:30])[C@@H:17]([CH3:2])[CH:24]2[C@H:23]([CH2:14][CH:22]3[C@@H:20]4[CH2:6][CH:5]=[C:18]5[CH2:13][C@@H:19]([OH:29])[CH2:8][CH2:10][C@:25]5([CH3:3])[C@H:21]4[CH2:9][CH2:11][C@@:26]32[CH3:4])[O:31]1)[CH:15]=[O:28] |
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