| Properties | Image |
|---|
| MNX_ID | MNXM114508 |
 |
| reference | metacycM:CPD-14892 |
| formula | C28H46O |
| global charge | 0 |
| mol weight | 398.675 |
| InChIKey | ALAYAXMTAIVXMW-ZRKHGVCBSA-N |
| InChI | InChI=1S/C28H46O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h10,19-22,24-26,29H,1,7-9,11-17H2,2-6H3/t19-,20+,21-,22-,24+,25-,26-,27-,28+/m0/s1 |
| SMILES | C=C(C)[C@@H](C)CC[C@@H](C)[C@H]1CC[C@H]2C3=CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C |
MNX internals
| InChI (mnx) | InChI=1/C28H46O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h10,19-22,24-26,29H,1,7-9,11-17H2,2-6H3/t19-,20+,21-,22-,24+,25-,26-,27-,28+/m0/s1 |
 |
| SMILES (mnx) | [CH2:1]=[C:18]([CH3:2])[C@@H:19]([CH3:3])[CH2:7][CH2:8][C@@H:20]([CH3:4])[C@H:24]1[CH2:11][CH2:12][C@H:25]2[C:23]3=[CH:10][CH2:9][C@H:21]4[CH2:17][C@@H:22]([OH:29])[CH2:13][CH2:15][C@:27]4([CH3:5])[C@H:26]3[CH2:14][CH2:16][C@:28]12[CH3:6] |
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