(Q104913714)

English

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

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

abietane diterpenoid

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mass

332.198759376 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₀H₂₈O₄

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canonical SMILES

O=C(O)C1(C)CCCC2(C3=CC=C(C=C3CCC12)C(O)(C)CO)C

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isomeric SMILES

C[C@]1(C(=O)O)CCC[C@]2(C)c3ccc([C@@](C)(O)CO)cc3CC[C@@H]12

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found in taxon

Illicium majus

1 reference

stated in

Diterpenoids and sesquiterpenoids from the roots of Illicium majus

Identifiers

InChI

InChI=1S/C20H28O4/c1-18-9-4-10-19(2,17(22)23)16(18)8-5-13-11-14(6-7-15(13)18)20(3,24)12-21/h6-7,11,16,21,24H,4-5,8-10,12H2,1-3H3,(H,22,23)/t16-,18-,19+,20+/m1/s1

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InChIKey

AKLQGVMKOBBNLW-LMCOJAPRSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

AKLQGVMKOBBNLW-LMCOJAPRSA-N

1 reference

(Q104913714)

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

Statements

Identifiers

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