| Properties | Image |
|---|
| MNX_ID | MNXM1171593 |
 |
| reference | envipathM:...07277119f537 |
| formula | C41H63O16 |
| global charge | -1 |
| mol weight | 811.939 |
| InChIKey | YRPITNUBANYEBF-UHFFFAOYSA-M |
| InChI | InChI=1S/C41H64O16/c1-18-34(47)27(43)14-32(52-18)56-37-20(3)54-33(16-29(37)45)57-36-19(2)53-31(15-28(36)44)55-22-8-10-39(4)21(12-22)6-7-25-26(39)13-30(46)40(5)24(9-11-41(25,40)51)23(17-42)35(48)38(49)50/h18-28,30-33,35-37,42-44,46,48,51H,6-17H2,1-5H3,(H,49,50)/p-1 |
| SMILES | CC1OC(OC2C(=O)CC(OC3C(O)CC(OC4CCC5(C)C(CCC6C5CC(O)C5(C)C(C(CO)C(O)C(=O)[O-])CCC65O)C4)OC3C)OC2C)CC(O)C1=O |
MNX internals
| InChI (mnx) | InChI=1/C41H64O16/c1-18-34(47)27(43)14-32(52-18)56-37-20(3)54-33(16-29(37)45)57-36-19(2)53-31(15-28(36)44)55-22-8-10-39(4)21(12-22)6-7-25-26(39)13-30(46)40(5)24(9-11-41(25,40)51)23(17-42)35(48)38(49)50/h18-28,30-33,35-37,42-44,46,48,51H,6-17H2,1-5H3,(H,49,50)/t18?,19?,20?,21?,22?,23?,24?,25?,26?,27?,28?,30?,31?,32?,33?,35?,36?,37?,39?,40?,41? |
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| SMILES (mnx) | [CH3:1][CH:18]1[C:34](=[O:47])[CH:27]([OH:43])[CH2:14][CH:32]([O:56][CH:37]2[CH:20]([CH3:3])[O:54][CH:33]([O:57][CH:36]3[CH:19]([CH3:2])[O:53][CH:31]([O:55][CH:22]4[CH2:8][CH2:10][C:39]5([CH3:4])[CH:21]([CH2:6][CH2:7][CH:25]6[CH:26]5[CH2:13][CH:30]([OH:46])[C:40]5([CH3:5])[CH:24]([CH:23]([CH2:17][OH:42])[CH:35]([C:38](=[O:49])[OH:50])[OH:48])[CH2:9][CH2:11][C:41]65[OH:51])[CH2:12]4)[CH2:15][CH:28]3[OH:44])[CH2:16][C:29]2=[O:45])[O:52]1 |
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