| Properties | Image |
|---|
| MNX_ID | MNXM108740 |
 |
| reference | chebi:66438 |
| formula | C30H38O7 |
| global charge | 0 |
| mol weight | 510.627 |
| InChIKey | RFLJGOACFXZRHJ-ZHIKFPNPSA-N |
| InChI | InChI=1S/C30H38O7/c1-28(2)24-13-18-9-16(12-23(35-6)26(18)37-30(24,5)15-21(32)27(28)34)7-8-17-10-20(31)19-14-25(33)29(3,4)36-22(19)11-17/h7-12,21,24-25,27,31-34H,13-15H2,1-6H3/b8-7+/t21-,24-,25?,27-,30-/m1/s1 |
| SMILES | COC1=CC(/C=C/C2=CC(O)=C3CC(O)C(C)(C)OC3=C2)=CC2=C1O[C@]1(C)C[C@@H](O)[C@@H](O)C(C)(C)[C@H]1C2 |
MNX internals
| InChI (mnx) | InChI=1/C30H38O7/c1-28(2)24-13-18-9-16(12-23(35-6)26(18)37-30(24,5)15-21(32)27(28)34)7-8-17-10-20(31)19-14-25(33)29(3,4)36-22(19)11-17/h7-12,21,24-25,27,31-34H,13-15H2,1-6H3/b8-7+/t21-,24-,25?,27-,30-/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][C:28]1([CH3:2])[C@H:24]2[CH2:13][C:18]3=[C:26]([C:23]([O:35][CH3:6])=[CH:12][C:16](/[CH:7]=[CH:8]/[C:17]4=[CH:10][C:20]([OH:31])=[C:19]5[CH2:14][CH:25]([OH:33])[C:29]([CH3:3])([CH3:4])[O:36][C:22]5=[CH:11]4)=[CH:9]3)[O:37][C@:30]2([CH3:5])[CH2:15][C@@H:21]([OH:32])[C@H:27]1[OH:34] |
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