| Properties | Image |
|---|
| MNX_ID | MNXM1231551 |
 |
| reference | envipathM:...0afd335711b5 |
| formula | C54H96O13 |
| global charge | 0 |
| mol weight | 953.349 |
| InChIKey | PGGVMQQAYZBVGS-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H96O13/c1-3-5-7-8-9-12-19-28-43(56)29-20-17-18-25-38-54(62)65-45(41-63-52(60)36-23-15-10-13-21-32-46(58)47(59)40-51-50(67-51)33-6-4-2)42-64-53(61)37-24-16-11-14-22-34-48-49(66-48)35-26-30-44(57)31-27-39-55/h8-9,26,30,43-51,55-59H,3-7,10-25,27-29,31-42H2,1-2H3 |
| SMILES | CCCCC=CCCCC(O)CCCCCCC(=O)OC(COC(=O)CCCCCCCC(O)C(O)CC1OC1CCCC)COC(=O)CCCCCCCC1OC1CC=CC(O)CCCO |
MNX internals
| InChI (mnx) | InChI=1/C54H96O13/c1-3-5-7-8-9-12-19-28-43(56)29-20-17-18-25-38-54(62)65-45(41-63-52(60)36-23-15-10-13-21-32-46(58)47(59)40-51-50(67-51)33-6-4-2)42-64-53(61)37-24-16-11-14-22-34-48-49(66-48)35-26-30-44(57)31-27-39-55/h8-9,26,30,43-51,55-59H,3-7,10-25,27-29,31-42H2,1-2H3/b9-8?,30-26?/t43?,44?,45?,46?,47?,48?,49?,50?,51? |
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| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:7][CH:8]=[CH:9][CH2:12][CH2:19][CH2:28][CH:43]([CH2:29][CH2:20][CH2:17][CH2:18][CH2:25][CH2:38][C:54](=[O:62])[O:65][CH:45]([CH2:41][O:63][C:52]([CH2:36][CH2:23][CH2:15][CH2:10][CH2:13][CH2:21][CH2:32][CH:46]([CH:47]([CH2:40][CH:51]1[CH:50]([CH2:33][CH2:6][CH2:4][CH3:2])[O:67]1)[OH:59])[OH:58])=[O:60])[CH2:42][O:64][C:53]([CH2:37][CH2:24][CH2:16][CH2:11][CH2:14][CH2:22][CH2:34][CH:48]1[CH:49]([CH2:35][CH:26]=[CH:30][CH:44]([CH2:31][CH2:27][CH2:39][OH:55])[OH:57])[O:66]1)=[O:61])[OH:56] |
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