input word = C00050637

Metabolite InformationStructural formula
Name 15beta,16beta-Isopropylidenedioxy-5alpha-cholest-3beta,4beta,6alpha,7alpha,8beta,26-hexaol
Formula C30H52O8
Mw 540.36621864
CAS RN 852709-55-8
C_ID C00050637
InChIKey PQRVPZFTCGLBGP-LBILUXRXNA-N
InChICode InChI=1S/C30H52O8/c1-15(14-31)8-7-9-16(2)19-23-24(38-27(3,4)37-23)25-29(19,6)13-11-18-28(5)12-10-17(32)21(33)20(28)22(34)26(35)30(18,25)36/h15-26,31-36H,7-14H2,1-6H3/t15?,16-,17+,18-,19+,20-,21+,22-,23-,24-,25-,26-,28-,29-,30+/m1/s1
SMILES CC(CO)CCC[C@@H](C)[C@H]1[C@H]2OC(C)(C)O[C@H]2[C@@H]2[C@]1(C)CC[C@@H]1[C@@]3(C)CC[C@H](O)[C@H](O)[C@@H]3[C@@H](O)[C@@H](O)[C@]12O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeArtemisia pectinifera Ref.
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OrganismArtemisia pectinifera
ReferenceZhang, et al., Zhongguo Haiyang Yaowu, 23, (2004), 6