| Properties | Image |
|---|
| MNX_ID | MNXM1172094 |
 |
| reference | envipathM:...27901f8bc54b |
| formula | C41H60O17 |
| global charge | 0 |
| mol weight | 824.914 |
| InChIKey | PLVLAKGPTBFPOV-UHFFFAOYSA-N |
| InChI | InChI=1S/C41H60O17/c1-18-35(49)25(43)13-32(53-18)57-36-19(2)54-33(14-26(36)44)58-37-27(45)15-34(56-28(37)16-42)55-22-9-20-5-6-23-24(38(20,3)29(46)11-22)12-30(47)39(4)40(50,7-8-41(23,39)51)21-10-31(48)52-17-21/h10,18-20,22-26,28-30,32-34,36-37,42-44,46-47,50-51H,5-9,11-17H2,1-4H3 |
| SMILES | CC1OC(OC2C(O)CC(OC3C(=O)CC(OC4CC(O)C5(C)C(CCC6C5CC(O)C5(C)C(O)(C7=CC(=O)OC7)CCC65O)C4)OC3CO)OC2C)CC(O)C1=O |
MNX internals
| InChI (mnx) | InChI=1/C41H60O17/c1-18-35(49)25(43)13-32(53-18)57-36-19(2)54-33(14-26(36)44)58-37-27(45)15-34(56-28(37)16-42)55-22-9-20-5-6-23-24(38(20,3)29(46)11-22)12-30(47)39(4)40(50,7-8-41(23,39)51)21-10-31(48)52-17-21/h10,18-20,22-26,28-30,32-34,36-37,42-44,46-47,50-51H,5-9,11-17H2,1-4H3/t18?,19?,20?,22?,23?,24?,25?,26?,28?,29?,30?,32?,33?,34?,36?,37?,38?,39?,40?,41? |
 |
| SMILES (mnx) | [CH3:1][CH:18]1[C:35](=[O:49])[CH:25]([OH:43])[CH2:13][CH:32]([O:57][CH:36]2[CH:19]([CH3:2])[O:54][CH:33]([O:58][CH:37]3[C:27](=[O:45])[CH2:15][CH:34]([O:55][CH:22]4[CH2:9][CH:20]5[CH2:5][CH2:6][CH:23]6[CH:24]([CH2:12][CH:30]([OH:47])[C:39]7([CH3:4])[C:40]([C:21]8=[CH:10][C:31](=[O:48])[O:52][CH2:17]8)([OH:50])[CH2:7][CH2:8][C:41]67[OH:51])[C:38]5([CH3:3])[CH:29]([OH:46])[CH2:11]4)[O:56][CH:28]3[CH2:16][OH:42])[CH2:14][CH:26]2[OH:44])[O:53]1 |
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