| Properties | Image |
|---|
| MNX_ID | MNXM105047 |
 |
| reference | chebi:70678 |
| formula | C30H46O5 |
| global charge | 0 |
| mol weight | 486.693 |
| InChIKey | FJBWUBWZSSBDEN-CTCWFQGOSA-N |
| InChI | InChI=1S/C30H46O5/c1-17-7-11-28(23(33)34)13-14-30-16-29(30,22(28)27(17,6)35)12-9-20-25(4)15-18(31)21(32)24(2,3)19(25)8-10-26(20,30)5/h9,12,17-22,31-32,35H,7-8,10-11,13-16H2,1-6H3,(H,33,34)/t17-,18-,19+,20-,21+,22-,25+,26-,27-,28+,29-,30-/m1/s1 |
| SMILES | C[C@@H]1CC[C@]2(C(=O)O)CC[C@]34C[C@]3(C=C[C@@H]3[C@@]5(C)C[C@@H](O)[C@H](O)C(C)(C)[C@@H]5CC[C@]34C)[C@@H]2[C@]1(C)O |
MNX internals
| InChI (mnx) | InChI=1/C30H46O5/c1-17-7-11-28(23(33)34)13-14-30-16-29(30,22(28)27(17,6)35)12-9-20-25(4)15-18(31)21(32)24(2,3)19(25)8-10-26(20,30)5/h9,12,17-22,31-32,35H,7-8,10-11,13-16H2,1-6H3,(H,33,34)/t17-,18-,19+,20-,21+,22-,25+,26-,27-,28+,29-,30-/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][C@@H:17]1[CH2:7][CH2:11][C@:28]2([C:23](=[O:33])[OH:34])[CH2:13][CH2:14][C@:30]34[CH2:16][C@:29]3([CH:12]=[CH:9][C@@H:20]3[C@@:25]5([CH3:4])[CH2:15][C@@H:18]([OH:31])[C@H:21]([OH:32])[C:24]([CH3:2])([CH3:3])[C@@H:19]5[CH2:8][CH2:10][C@:26]34[CH3:5])[C@@H:22]2[C@:27]1([CH3:6])[OH:35] |
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