| Properties | Image |
|---|
| MNX_ID | MNXM1186324 |
 |
| reference | envipathM:...59c91cad2bab |
| formula | C54H90O12 |
| global charge | 0 |
| mol weight | 931.302 |
| InChIKey | CTAYMJOCQAEDOL-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H90O12/c1-3-5-7-13-23-33-46-47(64-46)34-24-15-12-17-25-36-51(58)61-41-44(63-53(60)38-27-16-11-9-10-14-21-31-43(56)30-20-8-6-4-2)42-62-52(59)37-26-19-18-22-32-45(57)54-50(66-54)40-49-48(65-49)35-28-29-39-55/h13,20-21,23,30-31,43-44,46-50,54-56H,3-12,14-19,22,24-29,32-42H2,1-2H3 |
| SMILES | CCCCC=CCC1OC1CCCCCCCC(=O)OCC(COC(=O)CCCCCCC(=O)C1OC1CC1OC1CCCCO)OC(=O)CCCCCCCC=CC(O)C=CCCCC |
MNX internals
| InChI (mnx) | InChI=1/C54H90O12/c1-3-5-7-13-23-33-46-47(64-46)34-24-15-12-17-25-36-51(58)61-41-44(63-53(60)38-27-16-11-9-10-14-21-31-43(56)30-20-8-6-4-2)42-62-52(59)37-26-19-18-22-32-45(57)54-50(66-54)40-49-48(65-49)35-28-29-39-55/h13,20-21,23,30-31,43-44,46-50,54-56H,3-12,14-19,22,24-29,32-42H2,1-2H3/b23-13?,30-20?,31-21?/t43?,44?,46?,47?,48?,49?,50?,54? |
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| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:7][CH:13]=[CH:23][CH2:33][CH:46]1[CH:47]([CH2:34][CH2:24][CH2:15][CH2:12][CH2:17][CH2:25][CH2:36][C:51](=[O:58])[O:61][CH2:41][CH:44]([CH2:42][O:62][C:52]([CH2:37][CH2:26][CH2:19][CH2:18][CH2:22][CH2:32][C:45]([CH:54]2[CH:50]([CH2:40][CH:49]3[CH:48]([CH2:35][CH2:28][CH2:29][CH2:39][OH:55])[O:65]3)[O:66]2)=[O:57])=[O:59])[O:63][C:53]([CH2:38][CH2:27][CH2:16][CH2:11][CH2:9][CH2:10][CH2:14][CH:21]=[CH:31][CH:43]([CH:30]=[CH:20][CH2:8][CH2:6][CH2:4][CH3:2])[OH:56])=[O:60])[O:64]1 |
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