(Q105216230)

English

(4R,4aR,6aS,7R,11aS,11bR)-4,7,11b-trimethyl-9-oxo-2,3,4a,5,6,6a,7,11a-octahydro-1H-naphtho[2,1-f][1]benzofuran-4-carboxylic acid

chemical compound

In more languages

Statements

type of chemical entity

0 references

4,7,11b-trimethyl-9-oxo-2,3,4a,5,6,6a,7,11a-octahydro-1H-naphtho[2,1-f][1]benzofuran-4-carboxylic acid

1 reference

based on heuristic

inferred from SMILES

330.183109312 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

(4S,4aS,6aR,7S,11aS,11bS)-4,7,11b-trimethyl-9-oxo-2,3,4a,5,6,6a,7,11a-octahydro-1H-naphtho[2,1-f][1]benzofuran-4-carboxylic acid

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₀H₂₆O₄

0 references

canonical SMILES

O=C1OC2=CC3C(CCC4C(C(=O)O)(C)CCCC34C)C(C2=C1)C

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isomeric SMILES

C[C@H]1C2=CC(=O)OC2=C[C@@H]2[C@H]1CC[C@H]1[C@](C)(C(=O)O)CCC[C@]21C

0 references

Caesalpinia crista

1 reference

The isolation and structure elucidation of new cassane diterpene-acids from Caesalpinia crista L. (Fabaceae), and review on the nomenclature of some Caesalpinia species

Identifiers

InChI=1S/C20H26O4/c1-11-12-5-6-16-19(2,7-4-8-20(16,3)18(22)23)14(12)10-15-13(11)9-17(21)24-15/h9-12,14,16H,4-8H2,1-3H3,(H,22,23)/t11-,12+,14-,16-,19-,20-/m1/s1

0 references

PXLAMDZQSUFKAD-KGRXXBAQSA-N

0 references

1 reference

17 September 2022

based on heuristic

inferred from InChIKey

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