| Properties | Image |
|---|
| MNX_ID | MNXM1177225 |
 |
| reference | envipathM:...bb902c7a5b4e |
| formula | C54H90O13 |
| global charge | 0 |
| mol weight | 947.301 |
| InChIKey | SJNRJFQNTOHHKR-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H90O13/c1-4-7-9-11-12-15-21-30-41(55)31-22-20-24-33-45(58)54(61)64-42(39-62-51(59)37-28-17-13-16-26-35-47-46(65-47)34-25-14-10-8-5-2)40-63-53(60)44(57)32-23-18-19-27-36-48-49(66-48)38-50-52(67-50)43(56)29-6-3/h11-12,14,21,25,30,41-43,45-50,52,55-56,58H,4-10,13,15-20,22-24,26-29,31-40H2,1-3H3 |
| SMILES | CCCCC=CCC=CC(O)CCCCCC(O)C(=O)OC(COC(=O)CCCCCCCC1OC1CC=CCCCC)COC(=O)C(=O)CCCCCCC1OC1CC1OC1C(O)CCC |
MNX internals
| InChI (mnx) | InChI=1/C54H90O13/c1-4-7-9-11-12-15-21-30-41(55)31-22-20-24-33-45(58)54(61)64-42(39-62-51(59)37-28-17-13-16-26-35-47-46(65-47)34-25-14-10-8-5-2)40-63-53(60)44(57)32-23-18-19-27-36-48-49(66-48)38-50-52(67-50)43(56)29-6-3/h11-12,14,21,25,30,41-43,45-50,52,55-56,58H,4-10,13,15-20,22-24,26-29,31-40H2,1-3H3/b12-11?,25-14?,30-21?/t41?,42?,43?,45?,46?,47?,48?,49?,50?,52? |
 |
| SMILES (mnx) | [CH3:1][CH2:4][CH2:7][CH2:9][CH:11]=[CH:12][CH2:15][CH:21]=[CH:30][CH:41]([CH2:31][CH2:22][CH2:20][CH2:24][CH2:33][CH:45]([C:54](=[O:61])[O:64][CH:42]([CH2:39][O:62][C:51]([CH2:37][CH2:28][CH2:17][CH2:13][CH2:16][CH2:26][CH2:35][CH:47]1[CH:46]([CH2:34][CH:25]=[CH:14][CH2:10][CH2:8][CH2:5][CH3:2])[O:65]1)=[O:59])[CH2:40][O:63][C:53]([C:44]([CH2:32][CH2:23][CH2:18][CH2:19][CH2:27][CH2:36][CH:48]1[CH:49]([CH2:38][CH:50]2[CH:52]([CH:43]([CH2:29][CH2:6][CH3:3])[OH:56])[O:67]2)[O:66]1)=[O:57])=[O:60])[OH:58])[OH:55] |
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