| Properties | Image |
|---|
| MNX_ID | MNXM101311 |
 |
| reference | chebi:67942 |
| formula | C30H48O2 |
| global charge | 0 |
| mol weight | 440.712 |
| InChIKey | PKZZYOJERITBAM-HBSCMMAFSA-N |
| InChI | InChI=1S/C30H48O2/c1-25(2)13-14-27(5)15-16-28(6)19(20(27)18-25)9-10-22-29(28,7)12-11-21-26(3,4)23(31)17-24(32)30(21,22)8/h18-19,21-23,31H,9-17H2,1-8H3/t19-,21+,22+,23+,27-,28-,29-,30+/m1/s1 |
| SMILES | CC1(C)C=C2[C@H]3CC[C@@H]4[C@@]5(C)C(=O)C[C@H](O)C(C)(C)[C@@H]5CC[C@@]4(C)[C@]3(C)CC[C@@]2(C)CC1 |
MNX internals
| InChI (mnx) | InChI=1/C30H48O2/c1-25(2)13-14-27(5)15-16-28(6)19(20(27)18-25)9-10-22-29(28,7)12-11-21-26(3,4)23(31)17-24(32)30(21,22)8/h18-19,21-23,31H,9-17H2,1-8H3/t19-,21+,22+,23+,27-,28-,29-,30+/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][C:25]1([CH3:2])[CH2:13][CH2:14][C@:27]2([CH3:5])[CH2:15][CH2:16][C@:28]3([CH3:6])[C@H:19]([CH2:9][CH2:10][C@H:22]4[C@@:29]3([CH3:7])[CH2:12][CH2:11][C@H:21]3[C:26]([CH3:3])([CH3:4])[C@@H:23]([OH:31])[CH2:17][C:24](=[O:32])[C@@:30]34[CH3:8])[C:20]2=[CH:18]1 |
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