input word = C00015763

Metabolite InformationStructural formula
Name Distichol
[2S-(2alpha,2aalpha,7beta,7aalpha,12beta,12abeta)]- 2,2a,7,7a,12,12a-Hexahydro-2,7,12-tris(4-hydroxyphenyl)-benz[7,8]indeno[2',1':4,5]cycloocta[1,2,3-cd]benzofuran-4,6,9,11,14-pentol
Formula C42H32O9
Mw 680.20463262
CAS RN 108544-71-4
C_ID C00015763 ,
InChIKey UXHSAOFTHSNXMK-VEWPQBMYNA-N
InChICode InChI=1S/C42H32O9/c43-22-7-1-19(2-8-22)34-36-28(13-25(46)16-31(36)49)39-35(20-3-9-23(44)10-4-20)37-29(14-26(47)17-32(37)50)41-38-30(40(34)39)15-27(48)18-33(38)51-42(41)21-5-11-24(45)12-6-21/h1-18,34-35,39-50H/t34-,35+,39+,40+,41+,42+/m0/s1
SMILES c12c3c(cc(c1)O)[C@H]1[C@@H]([C@@H](c4c([C@H]3[C@H](O2)c2ccc(cc2)O)cc(cc4O)O)c2ccc(cc2)O)c2cc(cc(c2[C@@H]1c1ccc(cc1)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeDipterocarpaceaeShorea disticha Ref.
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OrganismShorea disticha
ReferenceSultanbawa,Phytochem.,26,(1987),799