| Properties | Image |
|---|
| MNX_ID | MNXM146862 |
 |
| reference | metacycM:CPD-16622 |
| formula | C30H50O3 |
| global charge | 0 |
| mol weight | 458.727 |
| InChIKey | DZSJPWPITPKYOF-MCVNXRIQSA-N |
| InChI | InChI=1S/C30H50O3/c1-24(2)13-14-27(6)20(16-24)30-23(33-30)15-19-26(5)11-10-21(31)25(3,4)18(26)9-12-28(19,7)29(30,8)17-22(27)32/h18-23,31-32H,9-17H2,1-8H3/t18-,19+,20+,21-,22-,23+,26-,27-,28+,29-,30+/m0/s1 |
| SMILES | CC1(C)CC[C@@]2(C)[C@@H](C1)[C@@]13O[C@@H]1C[C@@H]1[C@@]4(C)CC[C@H](O)C(C)(C)[C@@H]4CC[C@@]1(C)[C@]3(C)C[C@@H]2O |
MNX internals
| InChI (mnx) | InChI=1/C30H50O3/c1-24(2)13-14-27(6)20(16-24)30-23(33-30)15-19-26(5)11-10-21(31)25(3,4)18(26)9-12-28(19,7)29(30,8)17-22(27)32/h18-23,31-32H,9-17H2,1-8H3/t18-,19+,20+,21-,22-,23+,26-,27-,28+,29-,30+/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][C:24]1([CH3:2])[CH2:13][CH2:14][C@@:27]2([CH3:6])[C@@H:20]([CH2:16]1)[C@@:30]13[C@@H:23]([CH2:15][C@@H:19]4[C@@:26]5([CH3:5])[CH2:11][CH2:10][C@H:21]([OH:31])[C:25]([CH3:3])([CH3:4])[C@@H:18]5[CH2:9][CH2:12][C@@:28]4([CH3:7])[C@:29]1([CH3:8])[CH2:17][C@@H:22]2[OH:32])[O:33]3 |
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