| Properties | Image |
|---|
| MNX_ID | MNXM167646 |
 |
| reference | sabiorkM:28535 |
| formula | C27H46O3 |
| global charge | 0 |
| mol weight | 418.662 |
| InChIKey | ACJGWLHRYXOYSK-OXSUAPESSA-N |
| InChI | InChI=1S/C27H46O3/c1-17(2)7-6-8-18(3)22-11-12-23-21-10-9-19-15-20(28)16-27(29,30)26(19,5)24(21)13-14-25(22,23)4/h9,17-18,20-24,28-30H,6-8,10-16H2,1-5H3/t18-,20-,21+,22-,23+,24+,25-,26+/m1/s1 |
| SMILES | CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC(O)(O)[C@]4(C)[C@H]3CC[C@]12C |
MNX internals
| InChI (mnx) | InChI=1/C27H46O3/c1-17(2)7-6-8-18(3)22-11-12-23-21-10-9-19-15-20(28)16-27(29,30)26(19,5)24(21)13-14-25(22,23)4/h9,17-18,20-24,28-30H,6-8,10-16H2,1-5H3/t18-,20-,21+,22-,23+,24+,25-,26+/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][CH:17]([CH3:2])[CH2:7][CH2:6][CH2:8][C@@H:18]([CH3:3])[C@H:22]1[CH2:11][CH2:12][C@H:23]2[C@@H:21]3[CH2:10][CH:9]=[C:19]4[CH2:15][C@@H:20]([OH:28])[CH2:16][C:27]([OH:29])([OH:30])[C@:26]4([CH3:5])[C@H:24]3[CH2:13][CH2:14][C@:25]12[CH3:4] |
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