| Properties | Image |
|---|
| MNX_ID | MNXM1198074 |
 |
| reference | envipathM:...0567f0d965d4 |
| formula | C54H90O13 |
| global charge | 0 |
| mol weight | 947.301 |
| InChIKey | XCTPETMOYDTBHK-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H90O13/c1-3-5-7-19-29-42(56)30-20-13-10-9-11-15-26-37-52(60)64-43(40-62-51(59)36-25-16-12-14-24-35-48-53(67-48)44(57)31-21-8-6-4-2)41-63-54(61)45(58)32-22-17-18-23-33-46-49(65-46)39-50-47(66-50)34-27-28-38-55/h19-21,29-31,42-44,46-50,53,55-57H,3-18,22-28,32-41H2,1-2H3 |
| SMILES | CCCCC=CC(O)C=CCCCCCCCC(=O)OC(COC(=O)CCCCCCCC1OC1C(O)C=CCCCC)COC(=O)C(=O)CCCCCCC1OC1CC1OC1CCCCO |
MNX internals
| InChI (mnx) | InChI=1/C54H90O13/c1-3-5-7-19-29-42(56)30-20-13-10-9-11-15-26-37-52(60)64-43(40-62-51(59)36-25-16-12-14-24-35-48-53(67-48)44(57)31-21-8-6-4-2)41-63-54(61)45(58)32-22-17-18-23-33-46-49(65-46)39-50-47(66-50)34-27-28-38-55/h19-21,29-31,42-44,46-50,53,55-57H,3-18,22-28,32-41H2,1-2H3/b29-19?,30-20?,31-21?/t42?,43?,44?,46?,47?,48?,49?,50?,53? |
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| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:7][CH:19]=[CH:29][CH:42]([CH:30]=[CH:20][CH2:13][CH2:10][CH2:9][CH2:11][CH2:15][CH2:26][CH2:37][C:52](=[O:60])[O:64][CH:43]([CH2:40][O:62][C:51]([CH2:36][CH2:25][CH2:16][CH2:12][CH2:14][CH2:24][CH2:35][CH:48]1[CH:53]([CH:44]([CH:31]=[CH:21][CH2:8][CH2:6][CH2:4][CH3:2])[OH:57])[O:67]1)=[O:59])[CH2:41][O:63][C:54]([C:45]([CH2:32][CH2:22][CH2:17][CH2:18][CH2:23][CH2:33][CH:46]1[CH:49]([CH2:39][CH:50]2[CH:47]([CH2:34][CH2:27][CH2:28][CH2:38][OH:55])[O:66]2)[O:65]1)=[O:58])=[O:61])[OH:56] |
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