| Properties | Image |
|---|
| MNX_ID | MNXM730864 |
 |
| reference | sabiorkM:13211 |
| formula | C25H32O7 |
| global charge | 0 |
| mol weight | 444.524 |
| InChIKey | DIJRJJIYICXGMW-BMNUZZKLSA-N |
| InChI | InChI=1S/C25H32O7/c1-12-20(27)22(23(29)30)32-24(21(12)28)31-14-4-6-15-13(11-14)3-5-17-16(15)9-10-25(2)18(17)7-8-19(25)26/h4,6,11-12,16-18,20-22,24,27-28H,3,5,7-10H2,1-2H3,(H,29,30)/t12-,16+,17+,18-,20-,21+,22-,24+,25-/m0/s1 |
| SMILES | C[C@@H]1[C@@H](O)[C@H](OC2=CC=C3C(=C2)CC[C@@H]2[C@@H]3CC[C@]3(C)C(=O)CC[C@@H]23)O[C@H](C(=O)O)[C@H]1O |
MNX internals
| InChI (mnx) | InChI=1/C25H32O7/c1-12-20(27)22(23(29)30)32-24(21(12)28)31-14-4-6-15-13(11-14)3-5-17-16(15)9-10-25(2)18(17)7-8-19(25)26/h4,6,11-12,16-18,20-22,24,27-28H,3,5,7-10H2,1-2H3,(H,29,30)/t12-,16+,17+,18-,20-,21+,22-,24+,25-/m0/s1 |
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| SMILES (mnx) | [CH3:1][C@H:12]1[C@H:20]([OH:27])[C@@H:22]([C:23](=[O:29])[OH:30])[O:32][C@@H:24]([O:31][C:14]2=[CH:4][CH:6]=[C:15]3[C:13](=[CH:11]2)[CH2:3][CH2:5][C@@H:17]2[C@@H:16]3[CH2:9][CH2:10][C@@:25]3([CH3:2])[C@H:18]2[CH2:7][CH2:8][C:19]3=[O:26])[C@@H:21]1[OH:28] |
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