| Properties | Image |
|---|
| MNX_ID | MNXM1186821 |
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| reference | envipathM:...f176699a1f32 |
| formula | C35H55O15 |
| global charge | -1 |
| mol weight | 715.81 |
| InChIKey | RTTRHJBZWDHUTL-UHFFFAOYSA-M |
| InChI | InChI=1S/C35H56O15/c1-17-30(49-28-13-23(39)31(43)50-29(15-36)48-28)22(38)12-27(46-17)47-19-6-8-32(2)18(10-19)4-5-20-21(32)11-25(40)33(3)24(7-9-35(20,33)45)34(44,16-37)14-26(41)42/h17-25,27-30,36-40,44-45H,4-16H2,1-3H3,(H,41,42)/p-1 |
| SMILES | CC1OC(OC2CCC3(C)C(CCC4C3CC(O)C3(C)C(C(O)(CO)CC(=O)[O-])CCC43O)C2)CC(O)C1OC1CC(O)C(=O)OC(CO)O1 |
MNX internals
| InChI (mnx) | InChI=1/C35H56O15/c1-17-30(49-28-13-23(39)31(43)50-29(15-36)48-28)22(38)12-27(46-17)47-19-6-8-32(2)18(10-19)4-5-20-21(32)11-25(40)33(3)24(7-9-35(20,33)45)34(44,16-37)14-26(41)42/h17-25,27-30,36-40,44-45H,4-16H2,1-3H3,(H,41,42)/t17?,18?,19?,20?,21?,22?,23?,24?,25?,27?,28?,29?,30?,32?,33?,34?,35? |
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| SMILES (mnx) | [CH3:1][CH:17]1[CH:30]([O:49][CH:28]2[CH2:13][CH:23]([OH:39])[C:31](=[O:43])[O:50][CH:29]([CH2:15][OH:36])[O:48]2)[CH:22]([OH:38])[CH2:12][CH:27]([O:47][CH:19]2[CH2:6][CH2:8][C:32]3([CH3:2])[CH:18]([CH2:4][CH2:5][CH:20]4[CH:21]3[CH2:11][CH:25]([OH:40])[C:33]3([CH3:3])[CH:24]([C:34]([CH2:14][C:26](=[O:41])[OH:42])([CH2:16][OH:37])[OH:44])[CH2:7][CH2:9][C:35]43[OH:45])[CH2:10]2)[O:46]1 |
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