| Properties | Image |
|---|
| MNX_ID | MNXM166024 |
 |
| reference | sabiorkM:20786 |
| formula | C27H44O6 |
| global charge | 0 |
| mol weight | 464.643 |
| InChIKey | KFLDRYHMXLUSFO-BEPQLRPISA-N |
| InChI | InChI=1S/C27H44O6/c1-23(2,31)9-6-10-26(5,32)22-8-12-27(33)17-13-19(28)18-14-20(29)21(30)15-24(18,3)16(17)7-11-25(22,27)4/h13,16,18,20-22,29-33H,6-12,14-15H2,1-5H3/t16?,18-,20+,21-,22+,24+,25+,26?,27+/m0/s1 |
| SMILES | CC(C)(O)CCCC(C)(O)[C@@H]1CC[C@@]2(O)C3=CC(=O)[C@@H]4C[C@@H](O)[C@@H](O)C[C@]4(C)C3CC[C@]12C |
MNX internals
| InChI (mnx) | InChI=1/C27H44O6/c1-23(2,31)9-6-10-26(5,32)22-8-12-27(33)17-13-19(28)18-14-20(29)21(30)15-24(18,3)16(17)7-11-25(22,27)4/h13,16,18,20-22,29-33H,6-12,14-15H2,1-5H3/t16?,18-,20+,21-,22+,24+,25+,26?,27+/m0/s1 |
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| SMILES (mnx) | [CH3:1][C:23]([CH3:2])([CH2:9][CH2:6][CH2:10][C:26]([CH3:5])([C@@H:22]1[CH2:8][CH2:12][C@@:27]2([OH:33])[C:17]3=[CH:13][C:19](=[O:28])[C@@H:18]4[CH2:14][C@@H:20]([OH:29])[C@@H:21]([OH:30])[CH2:15][C@:24]4([CH3:3])[CH:16]3[CH2:7][CH2:11][C@:25]12[CH3:4])[OH:32])[OH:31] |
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