| Properties | Image |
|---|
| MNX_ID | MNXM1177058 |
 |
| reference | envipathM:...c58549764af7 |
| formula | C54H92O14 |
| global charge | 0 |
| mol weight | 965.316 |
| InChIKey | ZGGNITGMOUJHET-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H92O14/c1-4-7-10-12-13-14-15-16-17-18-19-20-22-28-35-49(59)65-40(38-63-47(57)34-27-24-23-25-30-42(56)53-44(67-53)33-26-21-11-8-5-2)39-64-48(58)36-29-31-41(55)50(60)51(61)52(62)54-46(68-54)37-45-43(66-45)32-9-6-3/h12-13,15-16,21,26,40-46,50-56,60-62H,4-11,14,17-20,22-25,27-39H2,1-3H3 |
| SMILES | CCCCC=CCC=CCCCCCCCC(=O)OC(COC(=O)CCCCCCC(O)C1OC1CC=CCCCC)COC(=O)CCCC(O)C(O)C(O)C(O)C1OC1CC1OC1CCCC |
MNX internals
| InChI (mnx) | InChI=1/C54H92O14/c1-4-7-10-12-13-14-15-16-17-18-19-20-22-28-35-49(59)65-40(38-63-47(57)34-27-24-23-25-30-42(56)53-44(67-53)33-26-21-11-8-5-2)39-64-48(58)36-29-31-41(55)50(60)51(61)52(62)54-46(68-54)37-45-43(66-45)32-9-6-3/h12-13,15-16,21,26,40-46,50-56,60-62H,4-11,14,17-20,22-25,27-39H2,1-3H3/b13-12?,16-15?,26-21?/t40?,41?,42?,43?,44?,45?,46?,50?,51?,52?,53?,54? |
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| SMILES (mnx) | [CH3:1][CH2:4][CH2:7][CH2:10][CH:12]=[CH:13][CH2:14][CH:15]=[CH:16][CH2:17][CH2:18][CH2:19][CH2:20][CH2:22][CH2:28][CH2:35][C:49](=[O:59])[O:65][CH:40]([CH2:38][O:63][C:47]([CH2:34][CH2:27][CH2:24][CH2:23][CH2:25][CH2:30][CH:42]([CH:53]1[CH:44]([CH2:33][CH:26]=[CH:21][CH2:11][CH2:8][CH2:5][CH3:2])[O:67]1)[OH:56])=[O:57])[CH2:39][O:64][C:48]([CH2:36][CH2:29][CH2:31][CH:41]([CH:50]([CH:51]([CH:52]([CH:54]1[CH:46]([CH2:37][CH:45]2[CH:43]([CH2:32][CH2:9][CH2:6][CH3:3])[O:66]2)[O:68]1)[OH:62])[OH:61])[OH:60])[OH:55])=[O:58] |
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