| Properties | Image |
|---|
| MNX_ID | MNXM1173603 |
 |
| reference | envipathM:...f1b10f0a5217 |
| formula | C54H96O14 |
| global charge | 0 |
| mol weight | 969.348 |
| InChIKey | HCARWYYOOAMCLK-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H96O14/c1-3-5-7-19-25-32-44(56)45(57)33-26-20-18-22-29-37-51(61)65-41-43(67-52(62)38-30-21-16-14-12-10-8-9-11-13-15-17-23-31-39-55)42-66-54(64)47(59)35-28-24-27-34-46(58)53(63)48(60)40-50-49(68-50)36-6-4-2/h8-9,13,15,19,25,43-50,53,55-60,63H,3-7,10-12,14,16-18,20-24,26-42H2,1-2H3 |
| SMILES | CCCCC=CCC(O)C(O)CCCCCCCC(=O)OCC(COC(=O)C(O)CCCCCC(O)C(O)C(O)CC1OC1CCCC)OC(=O)CCCCCCCC=CCC=CCCCCO |
MNX internals
| InChI (mnx) | InChI=1/C54H96O14/c1-3-5-7-19-25-32-44(56)45(57)33-26-20-18-22-29-37-51(61)65-41-43(67-52(62)38-30-21-16-14-12-10-8-9-11-13-15-17-23-31-39-55)42-66-54(64)47(59)35-28-24-27-34-46(58)53(63)48(60)40-50-49(68-50)36-6-4-2/h8-9,13,15,19,25,43-50,53,55-60,63H,3-7,10-12,14,16-18,20-24,26-42H2,1-2H3/b9-8?,15-13?,25-19?/t43?,44?,45?,46?,47?,48?,49?,50?,53? |
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| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:7][CH:19]=[CH:25][CH2:32][CH:44]([CH:45]([CH2:33][CH2:26][CH2:20][CH2:18][CH2:22][CH2:29][CH2:37][C:51](=[O:61])[O:65][CH2:41][CH:43]([CH2:42][O:66][C:54]([CH:47]([CH2:35][CH2:28][CH2:24][CH2:27][CH2:34][CH:46]([CH:53]([CH:48]([CH2:40][CH:50]1[CH:49]([CH2:36][CH2:6][CH2:4][CH3:2])[O:68]1)[OH:60])[OH:63])[OH:58])[OH:59])=[O:64])[O:67][C:52]([CH2:38][CH2:30][CH2:21][CH2:16][CH2:14][CH2:12][CH2:10][CH:8]=[CH:9][CH2:11][CH:13]=[CH:15][CH2:17][CH2:23][CH2:31][CH2:39][OH:55])=[O:62])[OH:57])[OH:56] |
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