input word = C00036472

Metabolite InformationStructural formula
Name 24-epi-Pterosterone
(+)-24-epi-Pterosterone
Formula C27H44O7
Mw 480.30870376
CAS RN 173655-42-0
C_ID C00036472 ,
InChIKey UMMBJCYNGLCGEF-HWKYUKGONA-N
InChICode InChI=1S/C27H44O7/c1-14(2)18(28)12-23(32)26(5,33)22-7-9-27(34)16-10-19(29)17-11-20(30)21(31)13-24(17,3)15(16)6-8-25(22,27)4/h10,14-15,17-18,20-23,28,30-34H,6-9,11-13H2,1-5H3/t15-,17-,18+,20+,21-,22-,23+,24+,25+,26+,27+/m0/s1
SMILES CC(C)[C@H](O)C[C@@H](O)[C@](C)(O)[C@H]1CC[C@@]2(O)C3=CC(=O)[C@@H]4C[C@@H](O)[C@@H](O)C[C@]4(C)[C@H]3CC[C@]12C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLabiataeLamium purpureum Ref.
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