(Q113510412)

English

medigenin

chemical compound

4-[2-[(1S,4aR,5S,8aR)-decahydro-5-(hydroxymethyl)-5,8a-dimethyl-2-methylene-1-naphthalenyl]ethyl]-2(5H)-furanone

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No description defined

Statements

type of chemical entity

0 references

1 reference

based on heuristic

inferred from SMILES

chemical structure

Medigenin.svg
445 × 610; 14 KB

0 references

318.21949481999997 dalton

1 reference

based on heuristic

inferred from isomeric SMILES

stereoisomer of

3-[2-[(1S,4aR,5S,8aS)-5-(hydroxymethyl)-5,8a-dimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]ethyl]-2H-furan-5-one

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

(4S,5beta,9alpha,10alpha)-19-Hydroxy-15,16-epoxylabda-8(20),13-dien-15-one

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₀H₃₀O₃

0 references

canonical SMILES

O=C1OCC(=C1)CCC2C(=C)CCC3C(C)(CO)CCCC23C

0 references

isomeric SMILES

C[C@@]12[C@]([C@](CO)(C)CCC1)(CCC(=C)[C@@H]2CCC=3COC(=O)C3)[H]

0 references

Identifiers

InChI=1S/C20H30O3/c1-14-5-8-17-19(2,13-21)9-4-10-20(17,3)16(14)7-6-15-11-18(22)23-12-15/h11,16-17,21H,1,4-10,12-13H2,2-3H3/t16-,17-,19+,20+/m0/s1

0 references

GWLQAIIVWXSSCM-RAUXBKROSA-N

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CAS Registry Number

1 reference

1 reference

matched by identifier from

GWLQAIIVWXSSCM-RAUXBKROSA-N

UniChem compound ID

1 reference

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