| Properties | Image |
|---|
| MNX_ID | MNXM40483 |
 |
| reference | chebi:81174 |
| formula | C41H66O13 |
| global charge | 0 |
| mol weight | 766.966 |
| InChIKey | RROGHRHLBLVQSG-UUWFFIQNSA-N |
| InChI | InChI=1S/C41H66O13/c1-36(2)13-15-41(35(49)50)16-14-39(5)21(22(41)17-36)7-8-26-37(3)11-10-27(38(4,20-43)25(37)9-12-40(26,39)6)53-34-32(28(45)23(44)19-51-34)54-33-31(48)30(47)29(46)24(18-42)52-33/h7,22-34,42-48H,8-20H2,1-6H3,(H,49,50)/t22-,23-,24+,25+,26+,27-,28-,29+,30-,31+,32+,33-,34-,37-,38-,39+,40+,41-/m0/s1 |
| SMILES | CC1(C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O[C@@H]6OC[C@H](O)[C@H](O)[C@H]6O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)[C@@](C)(CO)[C@@H]5CC[C@]43C)[C@@H]2C1 |
MNX internals
| InChI (mnx) | InChI=1/C41H66O13/c1-36(2)13-15-41(35(49)50)16-14-39(5)21(22(41)17-36)7-8-26-37(3)11-10-27(38(4,20-43)25(37)9-12-40(26,39)6)53-34-32(28(45)23(44)19-51-34)54-33-31(48)30(47)29(46)24(18-42)52-33/h7,22-34,42-48H,8-20H2,1-6H3,(H,49,50)/t22-,23-,24+,25+,26+,27-,28-,29+,30-,31+,32+,33-,34-,37-,38-,39+,40+,41-/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][C:36]1([CH3:2])[CH2:13][CH2:15][C@:41]2([C:35](=[O:49])[OH:50])[CH2:16][CH2:14][C@:39]3([CH3:5])[C:21](=[CH:7][CH2:8][C@@H:26]4[C@@:37]5([CH3:3])[CH2:11][CH2:10][C@H:27]([O:53][C@H:34]6[C@H:32]([O:54][C@H:33]7[C@H:31]([OH:48])[C@@H:30]([OH:47])[C@H:29]([OH:46])[C@@H:24]([CH2:18][OH:42])[O:52]7)[C@@H:28]([OH:45])[C@@H:23]([OH:44])[CH2:19][O:51]6)[C@@:38]([CH3:4])([CH2:20][OH:43])[C@@H:25]5[CH2:9][CH2:12][C@:40]43[CH3:6])[C@@H:22]2[CH2:17]1 |
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