| Properties | Image |
|---|
| MNX_ID | MNXM161150 |
 |
| reference | chebi:65972 |
| formula | C31H45NaO6 |
| global charge | 0 |
| mol weight | 536.685 |
| InChIKey | CERBHPPRQFHGMC-PULODHPASA-M |
| InChI | InChI=1S/C31H46O6.Na/c1-19(12-13-25(37-8)28(3,4)36)10-9-11-20(2)26-21(32)18-23-29(5)17-15-24(33)31(7,27(34)35)22(29)14-16-30(23,26)6;/h9-13,22-25,33,36H,14-18H2,1-8H3,(H,34,35);/q;+1/p-1/b11-9+,13-12+,19-10+,26-20+;/t22-,23+,24-,25?,29+,30+,31-;/m1./s1 |
| SMILES | COC(/C=C/C(C)=C/C=C/C(C)=C1\C(=O)C[C@H]2[C@@]3(C)CC[C@@H](O)[C@](C)(C(=O)[O-])[C@@H]3CC[C@]12C)C(C)(C)O.[Na+] |
MNX internals
| InChI (mnx) | InChI=1/C31H46O6.Na/c1-19(12-13-25(37-8)28(3,4)36)10-9-11-20(2)26-21(32)18-23-29(5)17-15-24(33)31(7,27(34)35)22(29)14-16-30(23,26)6;/h9-13,22-25,33,36H,14-18H2,1-8H3,(H,34,35);/q;+1/b11-9+,13-12+,19-10+,26-20+;/t22-,23+,24-,25?,29+,30+,31-;/m1./s1 |
 |
| SMILES (mnx) | [CH3:1][C:19](=[CH:10]\[CH:9]=[CH:11]\[C:20]([CH3:2])=[C:26]1/[C:21](=[O:32])[CH2:18][C@H:23]2[C@@:29]3([CH3:5])[CH2:17][CH2:15][C@@H:24]([OH:33])[C@:31]([CH3:7])([C:27](=[O:34])[OH:35])[C@@H:22]3[CH2:14][CH2:16][C@@:30]21[CH3:6])/[CH:12]=[CH:13]/[CH:25]([C:28]([CH3:3])([CH3:4])[OH:36])[O:37][CH3:8].[Na+:38] |
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