| Properties | Image |
|---|
| MNX_ID | MNXM1184857 |
 |
| reference | envipathM:...af009d94cdc2 |
| formula | C41H60O17 |
| global charge | 0 |
| mol weight | 824.914 |
| InChIKey | DINKSURUHUOINM-UHFFFAOYSA-N |
| InChI | InChI=1S/C41H60O17/c1-17-34(49)24(42)12-32(53-17)57-36-19(3)55-33(14-26(36)44)58-35-18(2)54-31(13-25(35)43)56-22-9-21-10-27(45)37-40(50)7-6-23(20-8-30(48)52-16-20)39(40,5)29(47)15-41(37,51)38(21,4)28(46)11-22/h8,17-19,21-26,28-29,31-33,35-37,42-44,46-47,50-51H,6-7,9-16H2,1-5H3 |
| SMILES | CC1OC(OC2C(O)CC(OC3C(O)CC(OC4CC(O)C5(C)C(CC(=O)C6C5(O)CC(O)C5(C)C(C7=CC(=O)OC7)CCC65O)C4)OC3C)OC2C)CC(O)C1=O |
MNX internals
| InChI (mnx) | InChI=1/C41H60O17/c1-17-34(49)24(42)12-32(53-17)57-36-19(3)55-33(14-26(36)44)58-35-18(2)54-31(13-25(35)43)56-22-9-21-10-27(45)37-40(50)7-6-23(20-8-30(48)52-16-20)39(40,5)29(47)15-41(37,51)38(21,4)28(46)11-22/h8,17-19,21-26,28-29,31-33,35-37,42-44,46-47,50-51H,6-7,9-16H2,1-5H3/t17?,18?,19?,21?,22?,23?,24?,25?,26?,28?,29?,31?,32?,33?,35?,36?,37?,38?,39?,40?,41? |
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| SMILES (mnx) | [CH3:1][CH:17]1[C:34](=[O:49])[CH:24]([OH:42])[CH2:12][CH:32]([O:57][CH:36]2[CH:19]([CH3:3])[O:55][CH:33]([O:58][CH:35]3[CH:18]([CH3:2])[O:54][CH:31]([O:56][CH:22]4[CH2:9][CH:21]5[CH2:10][C:27](=[O:45])[CH:37]6[C:40]7([OH:50])[CH2:7][CH2:6][CH:23]([C:20]8=[CH:8][C:30](=[O:48])[O:52][CH2:16]8)[C:39]7([CH3:5])[CH:29]([OH:47])[CH2:15][C:41]6([OH:51])[C:38]5([CH3:4])[CH:28]([OH:46])[CH2:11]4)[CH2:13][CH:25]3[OH:43])[CH2:14][CH:26]2[OH:44])[O:53]1 |
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