| Properties | Image |
|---|
| MNX_ID | MNXM1185083 |
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| reference | envipathM:...4e3b3fe6fe8f |
| formula | C54H96O11 |
| global charge | 0 |
| mol weight | 921.351 |
| InChIKey | WSRFIXVYWUNGBQ-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H96O11/c1-4-7-10-12-13-14-15-16-17-18-19-22-28-34-45(56)54(59)62-43(42-61-52(58)39-32-26-25-27-33-44(55)53-48(65-53)37-30-21-11-8-5-2)41-60-51(57)38-31-24-20-23-29-36-47-50(64-47)40-49-46(63-49)35-9-6-3/h21,30,43-50,53,55-56H,4-20,22-29,31-42H2,1-3H3 |
| SMILES | CCCCC=CCC1OC1C(O)CCCCCCC(=O)OCC(COC(=O)CCCCCCCC1OC1CC1OC1CCCC)OC(=O)C(O)CCCCCCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C54H96O11/c1-4-7-10-12-13-14-15-16-17-18-19-22-28-34-45(56)54(59)62-43(42-61-52(58)39-32-26-25-27-33-44(55)53-48(65-53)37-30-21-11-8-5-2)41-60-51(57)38-31-24-20-23-29-36-47-50(64-47)40-49-46(63-49)35-9-6-3/h21,30,43-50,53,55-56H,4-20,22-29,31-42H2,1-3H3/b30-21?/t43?,44?,45?,46?,47?,48?,49?,50?,53? |
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| SMILES (mnx) | [CH3:1][CH2:4][CH2:7][CH2:10][CH2:12][CH2:13][CH2:14][CH2:15][CH2:16][CH2:17][CH2:18][CH2:19][CH2:22][CH2:28][CH2:34][CH:45]([C:54](=[O:59])[O:62][CH:43]([CH2:41][O:60][C:51]([CH2:38][CH2:31][CH2:24][CH2:20][CH2:23][CH2:29][CH2:36][CH:47]1[CH:50]([CH2:40][CH:49]2[CH:46]([CH2:35][CH2:9][CH2:6][CH3:3])[O:63]2)[O:64]1)=[O:57])[CH2:42][O:61][C:52]([CH2:39][CH2:32][CH2:26][CH2:25][CH2:27][CH2:33][CH:44]([CH:53]1[CH:48]([CH2:37][CH:30]=[CH:21][CH2:11][CH2:8][CH2:5][CH3:2])[O:65]1)[OH:55])=[O:58])[OH:56] |
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