| Properties | Image |
|---|
| MNX_ID | MNXM1171695 |
 |
| reference | envipathM:...ba24ee8fad82 |
| formula | C54H90O12 |
| global charge | 0 |
| mol weight | 931.302 |
| InChIKey | UGGFMLBVNGKGJT-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H90O12/c1-4-7-9-11-12-13-14-15-16-17-18-19-24-32-39-52(61)64-43(42-63-51(60)38-31-26-21-23-29-36-48-53(65-48)46(57)35-27-10-8-5-2)41-62-50(59)37-30-25-20-22-28-34-44(55)47(58)40-49-54(66-49)45(56)33-6-3/h11-12,14-15,27,35,43-44,47-49,53-55,58H,4-10,13,16-26,28-34,36-42H2,1-3H3 |
| SMILES | CCCCC=CCC=CCCCCCCCC(=O)OC(COC(=O)CCCCCCCC(O)C(O)CC1OC1C(=O)CCC)COC(=O)CCCCCCCC1OC1C(=O)C=CCCCC |
MNX internals
| InChI (mnx) | InChI=1/C54H90O12/c1-4-7-9-11-12-13-14-15-16-17-18-19-24-32-39-52(61)64-43(42-63-51(60)38-31-26-21-23-29-36-48-53(65-48)46(57)35-27-10-8-5-2)41-62-50(59)37-30-25-20-22-28-34-44(55)47(58)40-49-54(66-49)45(56)33-6-3/h11-12,14-15,27,35,43-44,47-49,53-55,58H,4-10,13,16-26,28-34,36-42H2,1-3H3/b12-11?,15-14?,35-27?/t43?,44?,47?,48?,49?,53?,54? |
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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][CH2:24][CH2:32][CH2:39][C:52](=[O:61])[O:64][CH:43]([CH2:41][O:62][C:50]([CH2:37][CH2:30][CH2:25][CH2:20][CH2:22][CH2:28][CH2:34][CH:44]([CH:47]([CH2:40][CH:49]1[CH:54]([C:45]([CH2:33][CH2:6][CH3:3])=[O:56])[O:66]1)[OH:58])[OH:55])=[O:59])[CH2:42][O:63][C:51]([CH2:38][CH2:31][CH2:26][CH2:21][CH2:23][CH2:29][CH2:36][CH:48]1[CH:53]([C:46]([CH:35]=[CH:27][CH2:10][CH2:8][CH2:5][CH3:2])=[O:57])[O:65]1)=[O:60] |
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