| Properties | Image |
|---|
| MNX_ID | MNXM1172779 |
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| reference | envipathM:...cc4ec85de9fb |
| formula | C54H96O12 |
| global charge | 0 |
| mol weight | 937.35 |
| InChIKey | KZPHCIZSYFYRND-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H96O12/c1-3-5-32-48-50(65-48)40-51-49(66-51)35-25-16-12-20-27-37-53(59)62-42-43(63-54(60)38-28-18-10-8-6-7-9-14-22-31-45(57)44(56)30-4-2)41-61-52(58)36-26-19-11-15-23-33-46-47(64-46)34-24-17-13-21-29-39-55/h17,24,43-51,55-57H,3-16,18-23,25-42H2,1-2H3 |
| SMILES | CCCCC1OC1CC1OC1CCCCCCCC(=O)OCC(COC(=O)CCCCCCCC1OC1CC=CCCCCO)OC(=O)CCCCCCCCCCCC(O)C(O)CCC |
MNX internals
| InChI (mnx) | InChI=1/C54H96O12/c1-3-5-32-48-50(65-48)40-51-49(66-51)35-25-16-12-20-27-37-53(59)62-42-43(63-54(60)38-28-18-10-8-6-7-9-14-22-31-45(57)44(56)30-4-2)41-61-52(58)36-26-19-11-15-23-33-46-47(64-46)34-24-17-13-21-29-39-55/h17,24,43-51,55-57H,3-16,18-23,25-42H2,1-2H3/b24-17?/t43?,44?,45?,46?,47?,48?,49?,50?,51? |
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| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:32][CH:48]1[CH:50]([CH2:40][CH:51]2[CH:49]([CH2:35][CH2:25][CH2:16][CH2:12][CH2:20][CH2:27][CH2:37][C:53](=[O:59])[O:62][CH2:42][CH:43]([CH2:41][O:61][C:52]([CH2:36][CH2:26][CH2:19][CH2:11][CH2:15][CH2:23][CH2:33][CH:46]3[CH:47]([CH2:34][CH:24]=[CH:17][CH2:13][CH2:21][CH2:29][CH2:39][OH:55])[O:64]3)=[O:58])[O:63][C:54]([CH2:38][CH2:28][CH2:18][CH2:10][CH2:8][CH2:6][CH2:7][CH2:9][CH2:14][CH2:22][CH2:31][CH:45]([CH:44]([CH2:30][CH2:4][CH3:2])[OH:56])[OH:57])=[O:60])[O:66]2)[O:65]1 |
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