| Properties | Image |
|---|
| MNX_ID | MNXM102426 |
 |
| reference | chebi:69872 |
| formula | C27H39ClO7 |
| global charge | 0 |
| mol weight | 511.055 |
| InChIKey | PUHCBNQOZVVESC-PIJHPVSDSA-N |
| InChI | InChI=1S/C27H39ClO7/c1-6-17(2)24(31)34-16-27-21(8-7-10-26(27,32)15-28)25(5,11-9-20-13-23(30)33-14-20)18(3)12-22(27)35-19(4)29/h6,13,18,21-22,32H,7-12,14-16H2,1-5H3/b17-6+/t18-,21-,22+,25+,26+,27+/m1/s1 |
| SMILES | C/C=C(\C)C(=O)OC[C@@]12[C@@H](OC(C)=O)C[C@@H](C)[C@](C)(CCC3=CC(=O)OC3)[C@H]1CCC[C@]2(O)CCl |
MNX internals
| InChI (mnx) | InChI=1/C27H39ClO7/c1-6-17(2)24(31)34-16-27-21(8-7-10-26(27,32)15-28)25(5,11-9-20-13-23(30)33-14-20)18(3)12-22(27)35-19(4)29/h6,13,18,21-22,32H,7-12,14-16H2,1-5H3/b17-6+/t18-,21-,22+,25+,26+,27+/m1/s1 |
 |
| SMILES (mnx) | [CH3:1]/[CH:6]=[C:17](\[CH3:2])[C:24](=[O:31])[O:34][CH2:16][C@@:27]12[C@H:21]([CH2:8][CH2:7][CH2:10][C@@:26]1([CH2:15][Cl:28])[OH:32])[C@@:25]([CH3:5])([CH2:11][CH2:9][C:20]1=[CH:13][C:23](=[O:30])[O:33][CH2:14]1)[C@H:18]([CH3:3])[CH2:12][C@@H:22]2[O:35][C:19]([CH3:4])=[O:29] |
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