| Properties | Image |
|---|
| MNX_ID | MNXM1191048 |
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| reference | envipathM:...1a387279b7cb |
| formula | C39H62O15 |
| global charge | 0 |
| mol weight | 770.91 |
| InChIKey | MPNACFFPVFRJON-UHFFFAOYSA-N |
| InChI | InChI=1S/C39H62O15/c1-17-34(47)24(41)12-31(49-17)53-36-19(3)51-32(14-26(36)43)54-35-18(2)50-30(13-25(35)42)52-21-8-9-37(4)20(10-21)6-7-22-23(37)11-29(46)38(5)33(28(45)16-40)27(44)15-39(22,38)48/h17-26,29-36,40-43,46-48H,6-16H2,1-5H3 |
| SMILES | CC1OC(OC2C(O)CC(OC3C(O)CC(OC4CCC5(C)C(CCC6C5CC(O)C5(C)C(C(=O)CO)C(=O)CC65O)C4)OC3C)OC2C)CC(O)C1O |
MNX internals
| InChI (mnx) | InChI=1/C39H62O15/c1-17-34(47)24(41)12-31(49-17)53-36-19(3)51-32(14-26(36)43)54-35-18(2)50-30(13-25(35)42)52-21-8-9-37(4)20(10-21)6-7-22-23(37)11-29(46)38(5)33(28(45)16-40)27(44)15-39(22,38)48/h17-26,29-36,40-43,46-48H,6-16H2,1-5H3/t17?,18?,19?,20?,21?,22?,23?,24?,25?,26?,29?,30?,31?,32?,33?,34?,35?,36?,37?,38?,39? |
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| SMILES (mnx) | [CH3:1][CH:17]1[CH:34]([OH:47])[CH:24]([OH:41])[CH2:12][CH:31]([O:53][CH:36]2[CH:19]([CH3:3])[O:51][CH:32]([O:54][CH:35]3[CH:18]([CH3:2])[O:50][CH:30]([O:52][CH:21]4[CH2:8][CH2:9][C:37]5([CH3:4])[CH:20]([CH2:6][CH2:7][CH:22]6[CH:23]5[CH2:11][CH:29]([OH:46])[C:38]5([CH3:5])[CH:33]([C:28]([CH2:16][OH:40])=[O:45])[C:27](=[O:44])[CH2:15][C:39]65[OH:48])[CH2:10]4)[CH2:13][CH:25]3[OH:42])[CH2:14][CH:26]2[OH:43])[O:49]1 |
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