| Name |
Scaberoside Hh |
| Formula |
C74H18O39 |
| Mw |
1529.94252084 |
| CAS RN |
154971-89-8 |
| C_ID |
C00040250
, 
|
| InChIKey |
BSFNJDNKBGDCSD-UHFFFAOYNA-N |
| InChICode |
InChI=1S/C74H118O39/c1-25-38(81)42(85)47(90)63(102-25)108-54-32(79)24-101-66(57(54)111-64-49(92)44(87)52(26(2)103-64)106-62-51(94)53(31(78)23-100-62)107-60-45(88)39(82)29(76)21-98-60)113-68(97)74-17-16-69(3,4)18-28(74)27-10-11-35-71(7)14-13-37(70(5,6)34(71)12-15-72(35,8)73(27,9)19-36(74)80)105-67-58(112-65-48(91)43(86)41(84)33(20-75)104-65)55(50(93)56(110-67)59(95)96)109-61-46(89)40(83)30(77)22-99-61/h10,25-26,28-58,60-67,75-94H,11-24H2,1-9H3,(H,95,96)/t25-,26+,28-,29-,30-,31-,32+,33-,34+,35-,36-,37+,38-,39-,40-,41+,42+,43+,44-,45-,46-,47-,48-,49+,50-,51-,52+,53-,54+,55-,56-,57+,58+,60-,61-,62+,63+,64+,65-,66+,67+,71+,72+,73-,74+/m0/s1 |
| SMILES |
C1[C@@H]2[C@](CCC1(C)C)([C@H](C[C@]1(C2=CC[C@@H]2[C@]1(CC[C@H]1[C@]2(CC[C@H](C1(C)C)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)C(=O)O)O)O[C@H]1[C@H]([C@H]([C@H](CO1)O)O)O)O[C@@H]1O[C@H]([C@H]([C@H]([C@@H]1O)O)O)CO)C)C)C)O)C(=O)O[C@H]1OC[C@H]([C@H]([C@H]1O[C@H]1O[C@@H]([C@H]([C@H]([C@H]1O)O)O[C@H]1OC[C@@H]([C@@H]([C@@H]1O)O[C@H]1[C@H]([C@H]([C@H](CO1)O)O)O)O)C)O[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)C)O)O)O)O |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Asteraceae | Aster scaber  | Ref. |
|
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