| Properties | Image |
|---|
| MNX_ID | MNXM1322218 |
 |
| reference | envipathM:...904dc2e321f5 |
| formula | C54H92O12 |
| global charge | 0 |
| mol weight | 933.318 |
| InChIKey | SAMRTNULOYGYAP-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H92O12/c1-4-7-9-16-25-33-45-46(64-45)34-26-18-14-21-28-36-50(57)61-40-43(63-52(59)38-30-20-13-11-12-17-24-32-42(55)31-23-10-8-5-2)41-62-51(58)37-29-22-15-19-27-35-47-48(65-47)39-49-54(66-49)53(60)44(56)6-3/h23-24,31-32,42-43,45-49,53-55,60H,4-22,25-30,33-41H2,1-3H3 |
| SMILES | CCCCC=CC(O)C=CCCCCCCCC(=O)OC(COC(=O)CCCCCCCC1OC1CCCCCCC)COC(=O)CCCCCCCC1OC1CC1OC1C(O)C(=O)CC |
MNX internals
| InChI (mnx) | InChI=1/C54H92O12/c1-4-7-9-16-25-33-45-46(64-45)34-26-18-14-21-28-36-50(57)61-40-43(63-52(59)38-30-20-13-11-12-17-24-32-42(55)31-23-10-8-5-2)41-62-51(58)37-29-22-15-19-27-35-47-48(65-47)39-49-54(66-49)53(60)44(56)6-3/h23-24,31-32,42-43,45-49,53-55,60H,4-22,25-30,33-41H2,1-3H3/b31-23?,32-24?/t42?,43?,45?,46?,47?,48?,49?,53?,54? |
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| SMILES (mnx) | [CH3:1][CH2:4][CH2:7][CH2:9][CH2:16][CH2:25][CH2:33][CH:45]1[CH:46]([CH2:34][CH2:26][CH2:18][CH2:14][CH2:21][CH2:28][CH2:36][C:50](=[O:57])[O:61][CH2:40][CH:43]([CH2:41][O:62][C:51]([CH2:37][CH2:29][CH2:22][CH2:15][CH2:19][CH2:27][CH2:35][CH:47]2[CH:48]([CH2:39][CH:49]3[CH:54]([CH:53]([C:44]([CH2:6][CH3:3])=[O:56])[OH:60])[O:66]3)[O:65]2)=[O:58])[O:63][C:52]([CH2:38][CH2:30][CH2:20][CH2:13][CH2:11][CH2:12][CH2:17][CH:24]=[CH:32][CH:42]([CH:31]=[CH:23][CH2:10][CH2:8][CH2:5][CH3:2])[OH:55])=[O:59])[O:64]1 |
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