| Name |
Sinocrassuloside IX
(+)-Sinocrassuloside IX |
| Formula |
C72H104O31 |
| Mw |
1464.65615661 |
| CAS RN |
724785-04-0 |
| C_ID |
C00032145
, 
|
| InChIKey |
BSBLUWUARJWRAR-WQVOFJMANA-N |
| InChICode |
InChI=1S/C72H104O31/c1-31-45(79)48(82)51(85)62(93-31)102-59-57(95-33(3)75)54(98-44(78)19-14-34-12-15-35(90-10)16-13-34)32(2)94-64(59)103-66(89)72-25-24-67(4,5)26-37(72)36-17-18-41-68(6)22-21-43(69(7,30-74)40(68)20-23-70(41,8)71(36,9)27-42(72)77)97-65-58(101-63-52(86)49(83)47(81)39(28-73)96-63)55(53(87)56(100-65)60(88)91-11)99-61-50(84)46(80)38(76)29-92-61/h12-17,19,30-32,37-43,45-59,61-65,73,76-77,79-87H,18,20-29H2,1-11H3/b19-14-/t31-,32+,37-,38+,39+,40+,41+,42+,43-,45-,46-,47-,48+,49-,50+,51+,52+,53-,54-,55-,56-,57-,58+,59+,61-,62-,63-,64-,65-,68-,69+,70+,71+,72+/m0/s1 |
| SMILES |
C1(CC[C@]2([C@@H](C1)C1=CC[C@H]3[C@]([C@@]1(C[C@H]2O)C)(CC[C@@H]1[C@@]3(CC[C@@H]([C@]1(C)C=O)O[C@H]1O[C@@H]([C@H]([C@@H]([C@H]1O[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)O[C@@H]1OC[C@H]([C@@H]([C@H]1O)O)O)O)C(=O)OC)C)C)C(=O)O[C@@H]1O[C@@H]([C@@H]([C@@H]([C@H]1O[C@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)C)O)O)O)OC(=O)C)OC(=O)/C=C\c1ccc(cc1)OC)C)(C)C |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Crassulaceae | Sinocrassula asclepiadea FRANCH | Ref. |
|
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