| Properties | Image |
|---|
| MNX_ID | MNXM14644 |
 |
| reference | metacycM:CPD-13668 |
| formula | C30H50O2 |
| global charge | 0 |
| mol weight | 442.728 |
| InChIKey | OYONPFUYHNGECE-CQYSPVIFSA-N |
| InChI | InChI=1S/C30H50O2/c1-25(2)22-10-13-30(7)23(28(22,5)12-11-24(25)32)9-8-20-21-18-26(3,19-31)14-15-27(21,4)16-17-29(20,30)6/h8,21-24,31-32H,9-19H2,1-7H3/t21?,22?,23?,24-,26-,27+,28-,29+,30+/m0/s1 |
| SMILES | CC1(C)C2CC[C@]3(C)C(CC=C4C5C[C@@](C)(CO)CC[C@]5(C)CC[C@]43C)[C@@]2(C)CC[C@@H]1O |
MNX internals
| InChI (mnx) | InChI=1/C30H50O2/c1-25(2)22-10-13-30(7)23(28(22,5)12-11-24(25)32)9-8-20-21-18-26(3,19-31)14-15-27(21,4)16-17-29(20,30)6/h8,21-24,31-32H,9-19H2,1-7H3/t21?,22?,23?,24-,26-,27+,28-,29+,30+/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][C:25]1([CH3:2])[CH:22]2[CH2:10][CH2:13][C@:30]3([CH3:7])[CH:23]([CH2:9][CH:8]=[C:20]4[CH:21]5[CH2:18][C@@:26]([CH3:3])([CH2:19][OH:31])[CH2:14][CH2:15][C@:27]5([CH3:4])[CH2:16][CH2:17][C@:29]43[CH3:6])[C@@:28]2([CH3:5])[CH2:12][CH2:11][C@@H:24]1[OH:32] |
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