| Properties | Image |
|---|
| MNX_ID | MNXM97620 |
 |
| reference | chebi:234083 |
| formula | C30H48O2 |
| global charge | 0 |
| mol weight | 440.712 |
| InChIKey | VLFUANNVMXKBPF-ZAPOICBTSA-N |
| InChI | InChI=1S/C30H48O2/c1-19-10-15-30(18-31)17-16-28(6)21(25(30)20(19)2)8-9-23-27(5)13-12-24(32)26(3,4)22(27)11-14-29(23,28)7/h8,18-20,22-25,32H,9-17H2,1-7H3/t19-,20+,22+,23-,24+,25+,27+,28-,29-,30-/m1/s1 |
| SMILES | C[C@H]1[C@H](C)CC[C@]2(C=O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@H]12 |
MNX internals
| InChI (mnx) | InChI=1/C30H48O2/c1-19-10-15-30(18-31)17-16-28(6)21(25(30)20(19)2)8-9-23-27(5)13-12-24(32)26(3,4)22(27)11-14-29(23,28)7/h8,18-20,22-25,32H,9-17H2,1-7H3/t19-,20+,22+,23-,24+,25+,27+,28-,29-,30-/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][C@@H:19]1[CH2:10][CH2:15][C@:30]2([CH:18]=[O:31])[CH2:17][CH2:16][C@:28]3([CH3:6])[C:21](=[CH:8][CH2:9][C@@H:23]4[C@@:27]5([CH3:5])[CH2:13][CH2:12][C@H:24]([OH:32])[C:26]([CH3:3])([CH3:4])[C@@H:22]5[CH2:11][CH2:14][C@:29]43[CH3:7])[C@@H:25]2[C@H:20]1[CH3:2] |
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