| Properties | Image |
|---|
| MNX_ID | MNXM1313638 |
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| reference | envipathM:...62387254b530 |
| formula | C58H96O16 |
| global charge | -2 |
| mol weight | 1049.39 |
| InChIKey | SAMRCJXZKXAUIH-UHFFFAOYSA-L |
| InChI | InChI=1S/C58H98O16/c1-4-6-8-26-33-45(59)54-46(72-54)35-27-20-17-23-29-37-50(62)69-41-44(42-70-51(63)38-30-24-18-21-28-36-48-56(74-48)53(65)55-47(73-55)34-7-5-2)71-52(64)39-31-22-16-14-12-10-9-11-13-15-19-25-32-43(3)58(68,57(66)67)40-49(60)61/h9,11,26,33,43-48,53-56,59,65,68H,4-8,10,12-25,27-32,34-42H2,1-3H3,(H,60,61)(H,66,67)/p-2 |
| SMILES | CCCCC=CC(O)C1OC1CCCCCCCC(=O)OCC(COC(=O)CCCCCCCC1OC1C(O)C1OC1CCCC)OC(=O)CCCCCCCC=CCCCCCC(C)C(O)(CC(=O)[O-])C(=O)[O-] |
MNX internals
| InChI (mnx) | InChI=1/C58H98O16/c1-4-6-8-26-33-45(59)54-46(72-54)35-27-20-17-23-29-37-50(62)69-41-44(42-70-51(63)38-30-24-18-21-28-36-48-56(74-48)53(65)55-47(73-55)34-7-5-2)71-52(64)39-31-22-16-14-12-10-9-11-13-15-19-25-32-43(3)58(68,57(66)67)40-49(60)61/h9,11,26,33,43-48,53-56,59,65,68H,4-8,10,12-25,27-32,34-42H2,1-3H3,(H,60,61)(H,66,67)/b11-9?,33-26?/t43?,44?,45?,46?,47?,48?,53?,54?,55?,56?,58? |
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| SMILES (mnx) | [CH3:1][CH2:4][CH2:6][CH2:8][CH:26]=[CH:33][CH:45]([CH:54]1[CH:46]([CH2:35][CH2:27][CH2:20][CH2:17][CH2:23][CH2:29][CH2:37][C:50](=[O:62])[O:69][CH2:41][CH:44]([CH2:42][O:70][C:51]([CH2:38][CH2:30][CH2:24][CH2:18][CH2:21][CH2:28][CH2:36][CH:48]2[CH:56]([CH:53]([CH:55]3[CH:47]([CH2:34][CH2:7][CH2:5][CH3:2])[O:73]3)[OH:65])[O:74]2)=[O:63])[O:71][C:52]([CH2:39][CH2:31][CH2:22][CH2:16][CH2:14][CH2:12][CH2:10][CH:9]=[CH:11][CH2:13][CH2:15][CH2:19][CH2:25][CH2:32][CH:43]([CH3:3])[C:58]([CH2:40][C:49](=[O:60])[OH:61])([C:57](=[O:66])[OH:67])[OH:68])=[O:64])[O:72]1)[OH:59] |
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