| Properties | Image |
|---|
| MNX_ID | MNXM97652 |
 |
| reference | metacycM:CPD-14517 |
| formula | C31H54O |
| global charge | 0 |
| mol weight | 442.772 |
| InChIKey | IRUAZLSVSAWHSS-ZFDXCPBPSA-N |
| InChI | InChI=1S/C31H54O/c1-20-18-26(2,3)21-12-16-31(9)24(29(21,7)19-20)11-10-23-28(6)15-14-25(32)27(4,5)22(28)13-17-30(23,31)8/h20-25,32H,10-19H2,1-9H3/t20?,21-,22-,23+,24+,25-,28-,29-,30+,31+/m0/s1 |
| SMILES | CC1CC(C)(C)[C@@H]2CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@]2(C)C1 |
MNX internals
| InChI (mnx) | InChI=1/C31H54O/c1-20-18-26(2,3)21-12-16-31(9)24(29(21,7)19-20)11-10-23-28(6)15-14-25(32)27(4,5)22(28)13-17-30(23,31)8/h20-25,32H,10-19H2,1-9H3/t20?,21-,22-,23+,24+,25-,28-,29-,30+,31+/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][CH:20]1[CH2:18][C:26]([CH3:2])([CH3:3])[C@@H:21]2[CH2:12][CH2:16][C@:31]3([CH3:9])[C@H:24]([CH2:11][CH2:10][C@@H:23]4[C@@:28]5([CH3:6])[CH2:15][CH2:14][C@H:25]([OH:32])[C:27]([CH3:4])([CH3:5])[C@@H:22]5[CH2:13][CH2:17][C@:30]43[CH3:8])[C@@:29]2([CH3:7])[CH2:19]1 |
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