input word = C00043270

Metabolite InformationStructural formula
Name Anthosterone B
Formula C29H44O4
Mw 456.32395989
CAS RN 116368-92-4
C_ID C00043270 ,
InChIKey GSQCDJFADGTYTQ-HDFMDKPVNA-N
InChICode InChI=1S/C29H44O4/c1-17(2)18(3)8-9-19(4)21-12-13-22-20-10-11-24-25(30)29(32,26(31)33-7)16-28(24,6)23(20)14-15-27(21,22)5/h11,17,19-23,32H,3,8-10,12-16H2,1-2,4-7H3/t19-,20+,21-,22+,23+,27-,28-,29+/m1/s1
SMILES C=C(CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C(=O)[C@](O)(C(=O)OC)C[C@]4(C)[C@H]3CC[C@]12C)C(C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
--Phorbas amaranthus Ref.
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OrganismPhorbas amaranthus
ReferenceMasuno,J.Nat.Prod.,67,(2004),731