| Properties | Image |
|---|
| MNX_ID | MNXM103276 |
 |
| reference | chebi:67278 |
| formula | C32H46O11 |
| global charge | 0 |
| mol weight | 606.709 |
| InChIKey | CEVYVRCWJDJLEW-LXIKAAAESA-N |
| InChI | InChI=1S/C32H46O11/c1-8-9-10-11-12-13-25(36)41-21-17-22(35)29(5)15-14-23(39-19(3)33)30(6,38)26(29)27(40-20(4)34)32-24(16-18(21)2)42-28(37)31(32,7)43-32/h14-16,21-24,26-27,35,38H,8-13,17H2,1-7H3/b18-16-/t21-,22+,23-,24+,26-,27+,29-,30-,31+,32+/m1/s1 |
| SMILES | CCCCCCCC(=O)O[C@@H]1C[C@H](O)[C@@]2(C)C=C[C@@H](OC(C)=O)[C@@](C)(O)[C@@H]2[C@H](OC(C)=O)[C@]23O[C@@]2(C)C(=O)O[C@H]3/C=C\1C |
MNX internals
| InChI (mnx) | InChI=1/C32H46O11/c1-8-9-10-11-12-13-25(36)41-21-17-22(35)29(5)15-14-23(39-19(3)33)30(6,38)26(29)27(40-20(4)34)32-24(16-18(21)2)42-28(37)31(32,7)43-32/h14-16,21-24,26-27,35,38H,8-13,17H2,1-7H3/b18-16-/t21-,22+,23-,24+,26-,27+,29-,30-,31+,32+/m1/s1 |
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| SMILES (mnx) | [CH3:1][CH2:8][CH2:9][CH2:10][CH2:11][CH2:12][CH2:13][C:25](=[O:36])[O:41][C@@H:21]1[CH2:17][C@H:22]([OH:35])[C@@:29]2([CH3:5])[CH:15]=[CH:14][C@@H:23]([O:39][C:19]([CH3:3])=[O:33])[C@@:30]([CH3:6])([OH:38])[C@@H:26]2[C@H:27]([O:40][C:20]([CH3:4])=[O:34])[C@@:32]23[C@H:24](/[CH:16]=[C:18]\1[CH3:2])[O:42][C:28](=[O:37])[C@:31]2([CH3:7])[O:43]3 |
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