| Properties | Image |
|---|
| MNX_ID | MNXM1176316 |
 |
| reference | envipathM:...d52a7467faa1 |
| formula | C54H96O14 |
| global charge | 0 |
| mol weight | 969.348 |
| InChIKey | MZYPIGAAIIDLCE-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H96O14/c1-4-7-10-16-25-34-48-49(68-48)35-26-18-15-20-27-36-50(60)65-40-43(67-52(62)38-28-19-14-12-13-17-23-31-42(55)30-22-11-8-5-2)41-66-51(61)37-29-21-24-33-45(57)53(63)54(64)47(59)39-46(58)44(56)32-9-6-3/h16,22-23,25,30-31,42-49,53-59,63-64H,4-15,17-21,24,26-29,32-41H2,1-3H3 |
| SMILES | CCCCC=CCC1OC1CCCCCCCC(=O)OCC(COC(=O)CCCCCC(O)C(O)C(O)C(O)CC(O)C(O)CCCC)OC(=O)CCCCCCCC=CC(O)C=CCCCC |
MNX internals
| InChI (mnx) | InChI=1/C54H96O14/c1-4-7-10-16-25-34-48-49(68-48)35-26-18-15-20-27-36-50(60)65-40-43(67-52(62)38-28-19-14-12-13-17-23-31-42(55)30-22-11-8-5-2)41-66-51(61)37-29-21-24-33-45(57)53(63)54(64)47(59)39-46(58)44(56)32-9-6-3/h16,22-23,25,30-31,42-49,53-59,63-64H,4-15,17-21,24,26-29,32-41H2,1-3H3/b25-16?,30-22?,31-23?/t42?,43?,44?,45?,46?,47?,48?,49?,53?,54? |
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| SMILES (mnx) | [CH3:1][CH2:4][CH2:7][CH2:10][CH:16]=[CH:25][CH2:34][CH:48]1[CH:49]([CH2:35][CH2:26][CH2:18][CH2:15][CH2:20][CH2:27][CH2:36][C:50](=[O:60])[O:65][CH2:40][CH:43]([CH2:41][O:66][C:51]([CH2:37][CH2:29][CH2:21][CH2:24][CH2:33][CH:45]([CH:53]([CH:54]([CH:47]([CH2:39][CH:46]([CH:44]([CH2:32][CH2:9][CH2:6][CH3:3])[OH:56])[OH:58])[OH:59])[OH:64])[OH:63])[OH:57])=[O:61])[O:67][C:52]([CH2:38][CH2:28][CH2:19][CH2:14][CH2:12][CH2:13][CH2:17][CH:23]=[CH:31][CH:42]([CH:30]=[CH:22][CH2:11][CH2:8][CH2:5][CH3:2])[OH:55])=[O:62])[O:68]1 |
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