| Properties | Image |
|---|
| MNX_ID | MNXM1178343 |
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| reference | envipathM:...fbaaf031cc22 |
| formula | C41H66O18 |
| global charge | 0 |
| mol weight | 846.961 |
| InChIKey | LCPMZHUWRKILQR-UHFFFAOYSA-N |
| InChI | InChI=1S/C41H66O18/c1-19-33(48)23(43)12-31(54-19)59-35-25(45)14-32(57-26(35)17-42)58-34-20(2)55-30(13-24(34)44)56-22-6-7-36(3)21(11-22)5-8-39(50)27(36)15-28(46)37(4)40(51,9-10-41(37,39)52)38(49)16-29(47)53-18-38/h19-28,30-35,42-46,48-52H,5-18H2,1-4H3 |
| SMILES | CC1OC(OC2C(O)CC(OC3C(O)CC(OC4CCC5(C)C(CCC6(O)C5CC(O)C5(C)C(O)(C7(O)COC(=O)C7)CCC65O)C4)OC3C)OC2CO)CC(O)C1O |
MNX internals
| InChI (mnx) | InChI=1/C41H66O18/c1-19-33(48)23(43)12-31(54-19)59-35-25(45)14-32(57-26(35)17-42)58-34-20(2)55-30(13-24(34)44)56-22-6-7-36(3)21(11-22)5-8-39(50)27(36)15-28(46)37(4)40(51,9-10-41(37,39)52)38(49)16-29(47)53-18-38/h19-28,30-35,42-46,48-52H,5-18H2,1-4H3/t19?,20?,21?,22?,23?,24?,25?,26?,27?,28?,30?,31?,32?,33?,34?,35?,36?,37?,38?,39?,40?,41? |
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| SMILES (mnx) | [CH3:1][CH:19]1[CH:33]([OH:48])[CH:23]([OH:43])[CH2:12][CH:31]([O:59][CH:35]2[CH:25]([OH:45])[CH2:14][CH:32]([O:58][CH:34]3[CH:20]([CH3:2])[O:55][CH:30]([O:56][CH:22]4[CH2:6][CH2:7][C:36]5([CH3:3])[CH:21]([CH2:5][CH2:8][C:39]6([OH:50])[CH:27]5[CH2:15][CH:28]([OH:46])[C:37]5([CH3:4])[C:40]([C:38]7([OH:49])[CH2:16][C:29](=[O:47])[O:53][CH2:18]7)([OH:51])[CH2:9][CH2:10][C:41]56[OH:52])[CH2:11]4)[CH2:13][CH:24]3[OH:44])[O:57][CH:26]2[CH2:17][OH:42])[O:54]1 |
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