| Properties | Image |
|---|
| MNX_ID | MNXM1181780 |
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| reference | envipathM:...df7775390412 |
| formula | C54H94O14 |
| global charge | 0 |
| mol weight | 967.332 |
| InChIKey | QZXCEIKQDCTDLD-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H94O14/c1-3-5-7-14-23-31-44(57)45(58)32-24-16-12-19-26-34-50(60)64-40-43(66-52(62)36-28-18-11-9-10-15-22-30-42(56)29-21-8-6-4-2)41-65-51(61)35-27-20-13-17-25-33-47-48(67-47)39-49-54(68-49)53(63)46(59)37-38-55/h14,21-23,29-30,42-49,53-59,63H,3-13,15-20,24-28,31-41H2,1-2H3 |
| SMILES | CCCCC=CCC(O)C(O)CCCCCCCC(=O)OCC(COC(=O)CCCCCCCC1OC1CC1OC1C(O)C(O)CCO)OC(=O)CCCCCCCC=CC(O)C=CCCCC |
MNX internals
| InChI (mnx) | InChI=1/C54H94O14/c1-3-5-7-14-23-31-44(57)45(58)32-24-16-12-19-26-34-50(60)64-40-43(66-52(62)36-28-18-11-9-10-15-22-30-42(56)29-21-8-6-4-2)41-65-51(61)35-27-20-13-17-25-33-47-48(67-47)39-49-54(68-49)53(63)46(59)37-38-55/h14,21-23,29-30,42-49,53-59,63H,3-13,15-20,24-28,31-41H2,1-2H3/b23-14?,29-21?,30-22?/t42?,43?,44?,45?,46?,47?,48?,49?,53?,54? |
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| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:7][CH:14]=[CH:23][CH2:31][CH:44]([CH:45]([CH2:32][CH2:24][CH2:16][CH2:12][CH2:19][CH2:26][CH2:34][C:50](=[O:60])[O:64][CH2:40][CH:43]([CH2:41][O:65][C:51]([CH2:35][CH2:27][CH2:20][CH2:13][CH2:17][CH2:25][CH2:33][CH:47]1[CH:48]([CH2:39][CH:49]2[CH:54]([CH:53]([CH:46]([CH2:37][CH2:38][OH:55])[OH:59])[OH:63])[O:68]2)[O:67]1)=[O:61])[O:66][C:52]([CH2:36][CH2:28][CH2:18][CH2:11][CH2:9][CH2:10][CH2:15][CH:22]=[CH:30][CH:42]([CH:29]=[CH:21][CH2:8][CH2:6][CH2:4][CH3:2])[OH:56])=[O:62])[OH:58])[OH:57] |
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