| Properties | Image |
|---|
| MNX_ID | MNXM102830 |
 |
| reference | chebi:65437 |
| formula | C27H32O6 |
| global charge | 0 |
| mol weight | 452.547 |
| InChIKey | XKDGQMPLQPRTCS-HHPVDLARSA-N |
| InChI | InChI=1S/C27H32O6/c1-24(2)22(28)10-11-25(3)21-14-18-20(33-26(21,4)12-13-27(24,25)30)15-19(32-23(18)29)16-6-8-17(31-5)9-7-16/h6-9,15,21,30H,10-14H2,1-5H3/t21-,25-,26-,27-/m1/s1 |
| SMILES | COC1=CC=C(C2=CC3=C(C[C@H]4[C@@](C)(CC[C@@]5(O)C(C)(C)C(=O)CC[C@]45C)O3)C(=O)O2)C=C1 |
MNX internals
| InChI (mnx) | InChI=1/C27H32O6/c1-24(2)22(28)10-11-25(3)21-14-18-20(33-26(21,4)12-13-27(24,25)30)15-19(32-23(18)29)16-6-8-17(31-5)9-7-16/h6-9,15,21,30H,10-14H2,1-5H3/t21-,25-,26-,27-/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][C:24]1([CH3:2])[C:22](=[O:28])[CH2:10][CH2:11][C@:25]2([CH3:3])[C@H:21]3[CH2:14][C:18]4=[C:20]([CH:15]=[C:19]([C:16]5=[CH:7][CH:9]=[C:17]([O:31][CH3:5])[CH:8]=[CH:6]5)[O:32][C:23]4=[O:29])[O:33][C@:26]3([CH3:4])[CH2:12][CH2:13][C@@:27]12[OH:30] |
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