| Properties | Image |
|---|
| MNX_ID | MNXM1195597 |
 |
| reference | envipathM:...7fc850c0b8aa |
| formula | C54H92O12 |
| global charge | 0 |
| mol weight | 933.318 |
| InChIKey | CAXBOMBMLJLZBM-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H92O12/c1-4-7-9-11-12-13-14-15-16-17-18-19-25-33-39-52(60)64-43(42-63-51(59)38-32-27-21-24-30-36-48-47(65-48)35-29-22-10-8-5-2)41-62-50(58)37-31-26-20-23-28-34-45(56)46(57)40-49-54(66-49)53(61)44(55)6-3/h11-12,14-15,22,29,43,45-49,53-54,56-57,61H,4-10,13,16-21,23-28,30-42H2,1-3H3 |
| SMILES | CCCCC=CCC=CCCCCCCCC(=O)OC(COC(=O)CCCCCCCC(O)C(O)CC1OC1C(O)C(=O)CC)COC(=O)CCCCCCCC1OC1CC=CCCCC |
MNX internals
| InChI (mnx) | InChI=1/C54H92O12/c1-4-7-9-11-12-13-14-15-16-17-18-19-25-33-39-52(60)64-43(42-63-51(59)38-32-27-21-24-30-36-48-47(65-48)35-29-22-10-8-5-2)41-62-50(58)37-31-26-20-23-28-34-45(56)46(57)40-49-54(66-49)53(61)44(55)6-3/h11-12,14-15,22,29,43,45-49,53-54,56-57,61H,4-10,13,16-21,23-28,30-42H2,1-3H3/b12-11?,15-14?,29-22?/t43?,45?,46?,47?,48?,49?,53?,54? |
 |
| 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][CH2:25][CH2:33][CH2:39][C:52](=[O:60])[O:64][CH:43]([CH2:41][O:62][C:50]([CH2:37][CH2:31][CH2:26][CH2:20][CH2:23][CH2:28][CH2:34][CH:45]([CH:46]([CH2:40][CH:49]1[CH:54]([CH:53]([C:44]([CH2:6][CH3:3])=[O:55])[OH:61])[O:66]1)[OH:57])[OH:56])=[O:58])[CH2:42][O:63][C:51]([CH2:38][CH2:32][CH2:27][CH2:21][CH2:24][CH2:30][CH2:36][CH:48]1[CH:47]([CH2:35][CH:29]=[CH:22][CH2:10][CH2:8][CH2:5][CH3:2])[O:65]1)=[O:59] |
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