| Properties | Image |
|---|
| MNX_ID | MNXM1174344 |
 |
| reference | envipathM:...012d388fec2b |
| formula | C41H58O15 |
| global charge | 0 |
| mol weight | 790.9 |
| InChIKey | VVDILNHUEGRCBB-UHFFFAOYSA-N |
| InChI | InChI=1S/C41H58O15/c1-18-36(48)27(43)14-33(51-18)55-38-20(3)53-34(16-29(38)45)56-37-19(2)52-32(15-28(37)44)54-23-6-8-39(4)22(11-23)12-26(42)35-25(39)13-30(46)40(5)24(7-9-41(35,40)49)21-10-31(47)50-17-21/h10,18-20,22-27,32-38,42-43,48-49H,6-9,11-17H2,1-5H3 |
| SMILES | CC1OC(OC2CCC3(C)C(C2)CC(O)C2C3CC(=O)C3(C)C(C4=CC(=O)OC4)CCC23O)CC(=O)C1OC1CC(=O)C(OC2CC(O)C(O)C(C)O2)C(C)O1 |
MNX internals
| InChI (mnx) | InChI=1/C41H58O15/c1-18-36(48)27(43)14-33(51-18)55-38-20(3)53-34(16-29(38)45)56-37-19(2)52-32(15-28(37)44)54-23-6-8-39(4)22(11-23)12-26(42)35-25(39)13-30(46)40(5)24(7-9-41(35,40)49)21-10-31(47)50-17-21/h10,18-20,22-27,32-38,42-43,48-49H,6-9,11-17H2,1-5H3/t18?,19?,20?,22?,23?,24?,25?,26?,27?,32?,33?,34?,35?,36?,37?,38?,39?,40?,41? |
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| SMILES (mnx) | [CH3:1][CH:18]1[CH:36]([OH:48])[CH:27]([OH:43])[CH2:14][CH:33]([O:55][CH:38]2[CH:20]([CH3:3])[O:53][CH:34]([O:56][CH:37]3[CH:19]([CH3:2])[O:52][CH:32]([O:54][CH:23]4[CH2:6][CH2:8][C:39]5([CH3:4])[CH:22]([CH2:11]4)[CH2:12][CH:26]([OH:42])[CH:35]4[CH:25]5[CH2:13][C:30](=[O:46])[C:40]5([CH3:5])[CH:24]([C:21]6=[CH:10][C:31](=[O:47])[O:50][CH2:17]6)[CH2:7][CH2:9][C:41]45[OH:49])[CH2:15][C:28]3=[O:44])[CH2:16][C:29]2=[O:45])[O:51]1 |
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