| Properties | Image |
|---|
| MNX_ID | MNXM147754 |
 |
| reference | metacycM:CPD-15603 |
| formula | C27H42O8 |
| global charge | 0 |
| mol weight | 494.625 |
| InChIKey | ZSMBGSCPNXMBIR-IGFIPGLYSA-N |
| InChI | InChI=1S/C27H42O8/c1-23(33,14-28)8-7-22(32)26(4,34)21-6-10-27(35)16-11-18(29)17-12-19(30)20(31)13-24(17,2)15(16)5-9-25(21,27)3/h11,14-15,17,19-22,30-35H,5-10,12-13H2,1-4H3/t15-,17-,19+,20-,21-,22+,23?,24+,25+,26?,27+/m0/s1 |
| SMILES | CC(O)(C=O)CC[C@@H](O)C(C)(O)[C@H]1CC[C@@]2(O)C3=CC(=O)[C@@H]4C[C@@H](O)[C@@H](O)C[C@]4(C)[C@H]3CC[C@]12C |
MNX internals
| InChI (mnx) | InChI=1/C27H42O8/c1-23(33,14-28)8-7-22(32)26(4,34)21-6-10-27(35)16-11-18(29)17-12-19(30)20(31)13-24(17,2)15(16)5-9-25(21,27)3/h11,14-15,17,19-22,30-35H,5-10,12-13H2,1-4H3/t15-,17-,19+,20-,21-,22+,23?,24+,25+,26?,27+/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][C:23]([CH2:8][CH2:7][C@H:22]([C:26]([CH3:4])([C@H:21]1[CH2:6][CH2:10][C@@:27]2([OH:35])[C:16]3=[CH:11][C:18](=[O:29])[C@@H:17]4[CH2:12][C@@H:19]([OH:30])[C@@H:20]([OH:31])[CH2:13][C@:24]4([CH3:2])[C@H:15]3[CH2:5][CH2:9][C@:25]12[CH3:3])[OH:34])[OH:32])([CH:14]=[O:28])[OH:33] |
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