(Q105014812)

English

(1R,4aS,9S,10aS)-9-hydroxy-1,4a-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylic acid

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

9-hydroxy-1,4a-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylic Acid

1 reference

based on heuristic

inferred from SMILES

mass

316.203844756 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

7alpha-Hydroxydehydroabieticacid

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

7beta-Hydroxydehydroabietic acid

1 reference

based on heuristic

inferred from InChI

(1S,4aS,9R,10aR)-9-hydroxy-1,4a-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylic acid

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₀H₂₈O₃

0 references

canonical SMILES

O=C(O)C1(C)CCCC2(C3=CC=C(C=C3C(O)CC12)C(C)C)C

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isomeric SMILES

CC(C)c1ccc2c(c1)[C@@H](O)C[C@H]1[C@]2(C)CCC[C@@]1(C)C(=O)O

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found in taxon

Desmodium sandwicense

1 reference

stated in

C-methylated and C-prenylated isoflavonoids from root extract of Desmodium uncinatum.

Desmodium uncinatum

1 reference

stated in

C-methylated and C-prenylated isoflavonoids from root extract of Desmodium uncinatum.

Identifiers

InChI

InChI=1S/C20H28O3/c1-12(2)13-6-7-15-14(10-13)16(21)11-17-19(15,3)8-5-9-20(17,4)18(22)23/h6-7,10,12,16-17,21H,5,8-9,11H2,1-4H3,(H,22,23)/t16-,17-,19+,20+/m0/s1

0 references

InChIKey

GPFVBJYXFRIOFB-RAUXBKROSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

GPFVBJYXFRIOFB-RAUXBKROSA-N

1 reference

(Q105014812)

(1R,4aS,9S,10aS)-9-hydroxy-1,4a-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylic acid

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Identifiers

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