| Name |
17-Dehydroxyholothurinoside A
(-)-17-Dehydroxyholothurinoside A |
| Formula |
C60H96O28 |
| Mw |
1264.60881249 |
| CAS RN |
1021154-33-5 |
| C_ID |
C00048578
, 
|
| InChIKey |
QNJQNJVTBLMYPQ-SOENLNORNA-N |
| InChICode |
InChI=1S/C60H96O28/c1-23-45(84-52-44(74)47(37(67)28(21-63)81-52)85-51-43(73)46(76-9)36(66)27(20-62)80-51)40(70)42(72)49(78-23)86-48-38(68)29(82-50-41(71)39(69)35(65)26(19-61)79-50)22-77-53(48)83-33-14-16-57(6)25-18-32(64)60-31(59(8,88-54(60)75)34-13-15-55(2,3)87-34)12-17-58(60,7)24(25)10-11-30(57)56(33,4)5/h18,23-24,26-53,61-74H,10-17,19-22H2,1-9H3/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+,50+,51+,52+,53+,57-,58+,59-,60+/m1/s1 |
| SMILES |
C1=C2[C@H]([C@]3([C@]4([C@H]1O)[C@H](CC3)[C@@](OC4=O)([C@@H]1OC(CC1)(C)C)C)C)CC[C@@H]1[C@@]2(CC[C@@H](C1(C)C)O[C@@H]1OC[C@@H]([C@@H]([C@H]1O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)C)O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)OC)O)CO)O)CO)O)O)O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)C |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Animalia | Holothuriidae | Holothuria grisea | Ref. |
|
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