| Name |
Scaberoside Hb2 |
| Formula |
C63H100O30 |
| Mw |
1336.62994186 |
| CAS RN |
150172-25-1 |
| C_ID |
C00040244
, 
|
| InChIKey |
BXCRJXIXDFLXPL-UHFFFAOYNA-N |
| InChICode |
InChI=1S/C63H100O30/c1-23-34(68)36(70)41(75)53(85-23)90-47-29(66)22-84-56(49(47)92-54-43(77)39(73)45(24(2)86-54)88-52-44(78)46(28(65)21-83-52)89-51-40(74)35(69)27(64)20-82-51)93-57(81)63-17-16-58(3,4)18-26(63)25-10-11-31-60(7)14-13-33(87-55-42(76)37(71)38(72)48(91-55)50(79)80)59(5,6)30(60)12-15-61(31,8)62(25,9)19-32(63)67/h10,23-24,26-49,51-56,64-78H,11-22H2,1-9H3,(H,79,80)/t23-,24-,26-,27+,28+,29-,30+,31+,32-,33-,34+,35+,36-,37+,38+,39+,40+,41-,42-,43-,44+,45-,46+,47-,48+,49+,51+,52-,53-,54+,55+,56-,60-,61+,62-,63+/m1/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)O)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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