| Properties | Image |
|---|
| MNX_ID | MNXM32550 |
 |
| reference | metacycM:CPD-8310 |
| formula | C51H90O15 |
| global charge | 0 |
| mol weight | 943.266 |
| InChIKey | KCWRXTZCUNBOLH-RQOIEFAZSA-N |
| InChI | InChI=1S/C51H90O15/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-42(53)61-36-39(64-43(54)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)37-62-50-49(60)47(58)45(56)41(66-50)38-63-51-48(59)46(57)44(55)40(35-52)65-51/h12,14,17-20,39-41,44-52,55-60H,3-11,13,15-16,21-38H2,1-2H3/b14-12-,19-17-,20-18- |
| SMILES | CCCCC/C=C\C/C=C\CCCCCCCC(=O)OC(COC(=O)CCCCCCC/C=C\CCCCCCCC)COC1OC(COC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O |
MNX internals
| InChI (mnx) | InChI=1/C51H90O15/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-42(53)61-36-39(64-43(54)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)37-62-50-49(60)47(58)45(56)41(66-50)38-63-51-48(59)46(57)44(55)40(35-52)65-51/h12,14,17-20,39-41,44-52,55-60H,3-11,13,15-16,21-38H2,1-2H3/b14-12-,19-17-,20-18-/t39?,40?,41?,44?,45?,46?,47?,48?,49?,50?,51? |
 |
| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:7][CH2:9][CH2:11][CH2:13][CH2:15]/[CH:17]=[CH:19]\[CH2:21][CH2:23][CH2:25][CH2:27][CH2:29][CH2:31][CH2:33][C:42](=[O:53])[O:61][CH2:36][CH:39]([CH2:37][O:62][CH:50]1[CH:49]([OH:60])[CH:47]([OH:58])[CH:45]([OH:56])[CH:41]([CH2:38][O:63][CH:51]2[CH:48]([OH:59])[CH:46]([OH:57])[CH:44]([OH:55])[CH:40]([CH2:35][OH:52])[O:65]2)[O:66]1)[O:64][C:43]([CH2:34][CH2:32][CH2:30][CH2:28][CH2:26][CH2:24][CH2:22]/[CH:20]=[CH:18]\[CH2:16]/[CH:14]=[CH:12]\[CH2:10][CH2:8][CH2:6][CH2:4][CH3:2])=[O:54] |
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