| Properties | Image |
|---|
| MNX_ID | MNXM1176440 |
 |
| reference | envipathM:...4b43be132459 |
| formula | C54H90O12 |
| global charge | 0 |
| mol weight | 931.302 |
| InChIKey | BETSLIFGIVGDKY-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H90O12/c1-4-7-9-15-25-34-46-47(64-46)35-26-18-13-20-28-37-51(58)61-40-43(63-54(60)45(57)33-24-17-12-11-16-23-32-42(55)31-22-10-8-5-2)41-62-52(59)38-29-21-14-19-27-36-48-49(65-48)39-50-53(66-50)44(56)30-6-3/h15,22-23,25,31-32,42-43,45-50,53,55,57H,4-14,16-21,24,26-30,33-41H2,1-3H3 |
| SMILES | CCCCC=CCC1OC1CCCCCCCC(=O)OCC(COC(=O)CCCCCCCC1OC1CC1OC1C(=O)CCC)OC(=O)C(O)CCCCCCC=CC(O)C=CCCCC |
MNX internals
| InChI (mnx) | InChI=1/C54H90O12/c1-4-7-9-15-25-34-46-47(64-46)35-26-18-13-20-28-37-51(58)61-40-43(63-54(60)45(57)33-24-17-12-11-16-23-32-42(55)31-22-10-8-5-2)41-62-52(59)38-29-21-14-19-27-36-48-49(65-48)39-50-53(66-50)44(56)30-6-3/h15,22-23,25,31-32,42-43,45-50,53,55,57H,4-14,16-21,24,26-30,33-41H2,1-3H3/b25-15?,31-22?,32-23?/t42?,43?,45?,46?,47?,48?,49?,50?,53? |
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| SMILES (mnx) | [CH3:1][CH2:4][CH2:7][CH2:9][CH:15]=[CH:25][CH2:34][CH:46]1[CH:47]([CH2:35][CH2:26][CH2:18][CH2:13][CH2:20][CH2:28][CH2:37][C:51](=[O:58])[O:61][CH2:40][CH:43]([CH2:41][O:62][C:52]([CH2:38][CH2:29][CH2:21][CH2:14][CH2:19][CH2:27][CH2:36][CH:48]2[CH:49]([CH2:39][CH:50]3[CH:53]([C:44]([CH2:30][CH2:6][CH3:3])=[O:56])[O:66]3)[O:65]2)=[O:59])[O:63][C:54]([CH:45]([CH2:33][CH2:24][CH2:17][CH2:12][CH2:11][CH2:16][CH:23]=[CH:32][CH:42]([CH:31]=[CH:22][CH2:10][CH2:8][CH2:5][CH3:2])[OH:55])[OH:57])=[O:60])[O:64]1 |
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