| Properties | Image |
|---|
| MNX_ID | MNXM10247 |
 |
| reference | metacycM:CPD-12928 |
| formula | C28H43O3 |
| global charge | -1 |
| mol weight | 427.649 |
| InChIKey | BWHPOOZLIGPHHL-QPCSTCLVSA-M |
| InChI | InChI=1S/C28H44O3/c1-17(2)7-6-8-18(3)20-11-12-21-19-9-10-23-25(26(30)31)24(29)14-16-28(23,5)22(19)13-15-27(20,21)4/h7,9,18,20-25,29H,6,8,10-16H2,1-5H3,(H,30,31)/p-1/t18-,20-,21+,22+,23+,24+,25+,27-,28-/m1/s1 |
| SMILES | CC(C)=CCC[C@@H](C)[C@H]1CC[C@H]2C3=CC[C@H]4[C@H](C(=O)[O-])[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C |
MNX internals
| InChI (mnx) | InChI=1/C28H44O3/c1-17(2)7-6-8-18(3)20-11-12-21-19-9-10-23-25(26(30)31)24(29)14-16-28(23,5)22(19)13-15-27(20,21)4/h7,9,18,20-25,29H,6,8,10-16H2,1-5H3,(H,30,31)/t18-,20-,21+,22+,23+,24+,25+,27-,28-/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][C:17]([CH3:2])=[CH:7][CH2:6][CH2:8][C@@H:18]([CH3:3])[C@H:20]1[CH2:11][CH2:12][C@H:21]2[C:19]3=[CH:9][CH2:10][C@H:23]4[C@H:25]([C:26](=[O:30])[OH:31])[C@@H:24]([OH:29])[CH2:14][CH2:16][C@:28]4([CH3:5])[C@H:22]3[CH2:13][CH2:15][C@:27]12[CH3:4] |
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