| Properties | Image |
|---|
| MNX_ID | MNXM1178710 |
 |
| reference | envipathM:...f7c894f8d614 |
| formula | C54H92O14 |
| global charge | 0 |
| mol weight | 965.316 |
| InChIKey | NBHDACOQAUZSNA-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H92O14/c1-3-5-7-8-9-10-11-12-13-14-15-18-23-31-43(57)54(62)65-41(39-63-49(58)35-26-21-16-19-24-33-44-45(66-44)34-25-20-17-22-29-37-55)40-64-50(59)36-28-27-30-42(56)51(60)52(61)53-48(68-53)38-47-46(67-47)32-6-4-2/h8-9,11-12,20,25,41-48,51-53,55-57,60-61H,3-7,10,13-19,21-24,26-40H2,1-2H3 |
| SMILES | CCCCC=CCC=CCCCCCCC(O)C(=O)OC(COC(=O)CCCCCCCC1OC1CC=CCCCCO)COC(=O)CCCCC(O)C(O)C(O)C1OC1CC1OC1CCCC |
MNX internals
| InChI (mnx) | InChI=1/C54H92O14/c1-3-5-7-8-9-10-11-12-13-14-15-18-23-31-43(57)54(62)65-41(39-63-49(58)35-26-21-16-19-24-33-44-45(66-44)34-25-20-17-22-29-37-55)40-64-50(59)36-28-27-30-42(56)51(60)52(61)53-48(68-53)38-47-46(67-47)32-6-4-2/h8-9,11-12,20,25,41-48,51-53,55-57,60-61H,3-7,10,13-19,21-24,26-40H2,1-2H3/b9-8?,12-11?,25-20?/t41?,42?,43?,44?,45?,46?,47?,48?,51?,52?,53? |
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| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:7][CH:8]=[CH:9][CH2:10][CH:11]=[CH:12][CH2:13][CH2:14][CH2:15][CH2:18][CH2:23][CH2:31][CH:43]([C:54](=[O:62])[O:65][CH:41]([CH2:39][O:63][C:49]([CH2:35][CH2:26][CH2:21][CH2:16][CH2:19][CH2:24][CH2:33][CH:44]1[CH:45]([CH2:34][CH:25]=[CH:20][CH2:17][CH2:22][CH2:29][CH2:37][OH:55])[O:66]1)=[O:58])[CH2:40][O:64][C:50]([CH2:36][CH2:28][CH2:27][CH2:30][CH:42]([CH:51]([CH:52]([CH:53]1[CH:48]([CH2:38][CH:47]2[CH:46]([CH2:32][CH2:6][CH2:4][CH3:2])[O:67]2)[O:68]1)[OH:61])[OH:60])[OH:56])=[O:59])[OH:57] |
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