| Properties | Image |
|---|
| MNX_ID | MNXM1344735 |
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| reference | envipathM:...253661830c47 |
| formula | C54H96O14 |
| global charge | 0 |
| mol weight | 969.348 |
| InChIKey | HOTFGTVLOLUDTH-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H96O14/c1-4-7-9-11-12-13-14-15-16-17-18-19-23-31-38-51(62)67-42(40-65-50(61)37-30-24-20-22-27-34-44(56)43(55)33-26-21-10-8-5-2)41-66-54(64)47(59)36-29-25-28-35-45(57)52(63)48(60)39-49-53(68-49)46(58)32-6-3/h11-12,14-15,21,26,42-49,52-53,55-60,63H,4-10,13,16-20,22-25,27-41H2,1-3H3 |
| SMILES | CCCCC=CCC=CCCCCCCCC(=O)OC(COC(=O)CCCCCCCC(O)C(O)CC=CCCCC)COC(=O)C(O)CCCCCC(O)C(O)C(O)CC1OC1C(O)CCC |
MNX internals
| InChI (mnx) | InChI=1/C54H96O14/c1-4-7-9-11-12-13-14-15-16-17-18-19-23-31-38-51(62)67-42(40-65-50(61)37-30-24-20-22-27-34-44(56)43(55)33-26-21-10-8-5-2)41-66-54(64)47(59)36-29-25-28-35-45(57)52(63)48(60)39-49-53(68-49)46(58)32-6-3/h11-12,14-15,21,26,42-49,52-53,55-60,63H,4-10,13,16-20,22-25,27-41H2,1-3H3/b12-11?,15-14?,26-21?/t42?,43?,44?,45?,46?,47?,48?,49?,52?,53? |
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| SMILES (mnx) | [CH3:1][CH2:4][CH2:7][CH2:9][CH:11]=[CH:12][CH2:13][CH:14]=[CH:15][CH2:16][CH2:17][CH2:18][CH2:19][CH2:23][CH2:31][CH2:38][C:51](=[O:62])[O:67][CH:42]([CH2:40][O:65][C:50]([CH2:37][CH2:30][CH2:24][CH2:20][CH2:22][CH2:27][CH2:34][CH:44]([CH:43]([CH2:33][CH:26]=[CH:21][CH2:10][CH2:8][CH2:5][CH3:2])[OH:55])[OH:56])=[O:61])[CH2:41][O:66][C:54]([CH:47]([CH2:36][CH2:29][CH2:25][CH2:28][CH2:35][CH:45]([CH:52]([CH:48]([CH2:39][CH:49]1[CH:53]([CH:46]([CH2:32][CH2:6][CH3:3])[OH:58])[O:68]1)[OH:60])[OH:63])[OH:57])[OH:59])=[O:64] |
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