| Properties | Image |
|---|
| MNX_ID | MNXM737551 |
 |
| reference | sabiorkM:20843 |
| formula | C27H45O9P |
| global charge | 0 |
| mol weight | 544.622 |
| InChIKey | FUMILPJJVXGPIT-CWNOQBPDSA-N |
| InChI | InChI=1S/C27H45O9P/c1-15(23(36-37(33,34)35)8-9-24(2,3)31)16-7-11-27(32)18-12-20(28)19-13-21(29)22(30)14-25(19,4)17(18)6-10-26(16,27)5/h12,15-17,19,21-23,29-32H,6-11,13-14H2,1-5H3,(H2,33,34,35)/t15-,16+,17-,19-,21+,22-,23?,25+,26+,27?/m0/s1 |
| SMILES | C[C@H](C(CCC(C)(C)O)OP(=O)(O)O)[C@H]1CCC2(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/C27H45O9P/c1-15(23(36-37(33,34)35)8-9-24(2,3)31)16-7-11-27(32)18-12-20(28)19-13-21(29)22(30)14-25(19,4)17(18)6-10-26(16,27)5/h12,15-17,19,21-23,29-32H,6-11,13-14H2,1-5H3,(H2,33,34,35)/t15-,16+,17-,19-,21+,22-,23?,25+,26+,27?/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][C@@H:15]([C@H:16]1[CH2:7][CH2:11][C:27]2([OH:32])[C:18]3=[CH:12][C:20](=[O:28])[C@@H:19]4[CH2:13][C@@H:21]([OH:29])[C@@H:22]([OH:30])[CH2:14][C@:25]4([CH3:4])[C@H:17]3[CH2:6][CH2:10][C@:26]12[CH3:5])[CH:23]([CH2:8][CH2:9][C:24]([CH3:2])([CH3:3])[OH:31])[O:36][P:37]([OH:33])([OH:34])=[O:35] |
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