| Properties | Image |
|---|
| MNX_ID | MNXM1174816 |
 |
| reference | envipathM:...ac0484798f15 |
| formula | C41H64O17 |
| global charge | 0 |
| mol weight | 828.946 |
| InChIKey | CEGLZGVMOSBMIX-UHFFFAOYSA-N |
| InChI | InChI=1S/C41H64O17/c1-18-33(48)24(42)11-31(53-18)57-35-20(3)55-32(13-26(35)44)58-34-19(2)54-30(12-25(34)43)56-22-6-8-37(4)39(49,14-22)15-27(45)36-40(50)9-7-23(21-10-29(47)52-17-21)38(40,5)28(46)16-41(36,37)51/h18-26,28,30-36,42-44,46,48-51H,6-17H2,1-5H3 |
| SMILES | CC1OC(OC2C(O)CC(OC3C(O)CC(OC4CCC5(C)C(O)(CC(=O)C6C7(O)CCC(C8COC(=O)C8)C7(C)C(O)CC65O)C4)OC3C)OC2C)CC(O)C1O |
MNX internals
| InChI (mnx) | InChI=1/C41H64O17/c1-18-33(48)24(42)11-31(53-18)57-35-20(3)55-32(13-26(35)44)58-34-19(2)54-30(12-25(34)43)56-22-6-8-37(4)39(49,14-22)15-27(45)36-40(50)9-7-23(21-10-29(47)52-17-21)38(40,5)28(46)16-41(36,37)51/h18-26,28,30-36,42-44,46,48-51H,6-17H2,1-5H3/t18?,19?,20?,21?,22?,23?,24?,25?,26?,28?,30?,31?,32?,33?,34?,35?,36?,37?,38?,39?,40?,41? |
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| SMILES (mnx) | [CH3:1][CH:18]1[CH:33]([OH:48])[CH:24]([OH:42])[CH2:11][CH:31]([O:57][CH:35]2[CH:20]([CH3:3])[O:55][CH:32]([O:58][CH:34]3[CH:19]([CH3:2])[O:54][CH:30]([O:56][CH:22]4[CH2:6][CH2:8][C:37]5([CH3:4])[C:39]([OH:49])([CH2:14]4)[CH2:15][C:27](=[O:45])[CH:36]4[C:40]6([OH:50])[CH2:9][CH2:7][CH:23]([CH:21]7[CH2:10][C:29](=[O:47])[O:52][CH2:17]7)[C:38]6([CH3:5])[CH:28]([OH:46])[CH2:16][C:41]45[OH:51])[CH2:12][CH:25]3[OH:43])[CH2:13][CH:26]2[OH:44])[O:53]1 |
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