| Properties | Image |
|---|
| MNX_ID | MNXM36236 |
 |
| reference | chebi:63531 |
| formula | C48H94O15S2 |
| global charge | 0 |
| mol weight | 975.399 |
| InChIKey | ZJEIXRMBHAATLQ-LAWZUEHLSA-N |
| InChI | InChI=1S/C48H94O15S2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-64(56,57)36-38(37-65(58,59)32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)35-60-47-45(55)43(53)46(40(34-50)62-47)63-48-44(54)42(52)41(51)39(33-49)61-48/h38-55H,3-37H2,1-2H3/t39-,40-,41+,42+,43-,44-,45-,46-,47-,48+/m1/s1 |
| SMILES | CCCCCCCCCCCCCCCCS(=O)(=O)CC(CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O)CS(=O)(=O)CCCCCCCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C48H94O15S2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-64(56,57)36-38(37-65(58,59)32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)35-60-47-45(55)43(53)46(40(34-50)62-47)63-48-44(54)42(52)41(51)39(33-49)61-48/h38-55H,3-37H2,1-2H3/t39-,40-,41+,42+,43-,44-,45-,46-,47-,48+/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:7][CH2:9][CH2:11][CH2:13][CH2:15][CH2:17][CH2:19][CH2:21][CH2:23][CH2:25][CH2:27][CH2:29][CH2:31][S:64]([CH2:36][CH:38]([CH2:35][O:60][C@H:47]1[C@H:45]([OH:55])[C@@H:43]([OH:53])[C@H:46]([O:63][C@H:48]2[C@H:44]([OH:54])[C@@H:42]([OH:52])[C@@H:41]([OH:51])[C@@H:39]([CH2:33][OH:49])[O:61]2)[C@@H:40]([CH2:34][OH:50])[O:62]1)[CH2:37][S:65]([CH2:32][CH2:30][CH2:28][CH2:26][CH2:24][CH2:22][CH2:20][CH2:18][CH2:16][CH2:14][CH2:12][CH2:10][CH2:8][CH2:6][CH2:4][CH3:2])(=[O:58])=[O:59])(=[O:56])=[O:57] |
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