(Q105265295)

English

(1R,4aR,7R,8aS,10aS)-7-ethenyl-1,4a,7-trimethyl-3,4,6,8,8a,9,10,10a-octahydro-2H-phenanthrene-1-carboxylic acid

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

(1R,4aR,7S)-1,4a,7-Trimethyl-7-vinyl-1,2,3,4,4a,6,7,8,8a,9,10,10a-dodecahydro-phenanthrene-1-carboxylic acid

1 reference

based on heuristic

inferred from SMILES

7-ethenyl-1,4a,7-trimethyl-3,4,6,8,8a,9,10,10a-octahydro-2H-phenanthrene-1-carboxylic acid

1 reference

based on heuristic

inferred from SMILES

mass

302.2245802 dalton

1 reference

1 reference

(1S,4aS,7S,8aS,10aS)-7-ethenyl-1,4a,7-trimethyl-3,4,6,8,8a,9,10,10a-octahydro-2H-phenanthrene-1-carboxylic acid

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₀H₃₀O₂

0 references

canonical SMILES

O=C(O)C1(C)CCCC2(C3=CCC(C=C)(C)CC3CCC12)C

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isomeric SMILES

C=C[C@]1(C)CC=C2[C@@H](CC[C@@H]3[C@](C)(C(=O)O)CCC[C@@]23C)C1

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found in taxon

Plagiochila deltoidea

1 reference

stated in

Terpenoids and aromatic compounds from the New Zealand liverworts Plagiochila, Schistochila, and Heteroscyphus species

Helichrysum setosum

1 reference

stated in

Phloroglucinol derivatives and other constituents from South African Helichrysum species

Eleutherococcus divaricatus

1 reference

stated in

Inhibitory Effect of TNF-.ALPHA. and IL-8 Secretion by Pimarane-Type Diterpenoids from Acanthopanax koreanum

Identifiers

InChI

InChI=1S/C20H30O2/c1-5-18(2)12-9-15-14(13-18)7-8-16-19(15,3)10-6-11-20(16,4)17(21)22/h5,9,14,16H,1,6-8,10-13H2,2-4H3,(H,21,22)/t14-,16-,18+,19-,20+/m0/s1

0 references

InChIKey

TVHDZSRRHQKNEZ-ARSBKQPYSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

TVHDZSRRHQKNEZ-ARSBKQPYSA-N

(Q105265295)

(1R,4aR,7R,8aS,10aS)-7-ethenyl-1,4a,7-trimethyl-3,4,6,8,8a,9,10,10a-octahydro-2H-phenanthrene-1-carboxylic acid

Statements

Identifiers

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