(Q105224141)

English

(1R,4aR,4bR,10S,10aR)-10-hydroxy-7-(2-hydroxypropan-2-yl)-1,4a-dimethyl-6-oxo-3,4,4b,5,10,10a-hexahydro-2H-phenanthrene-1-carboxylic acid

chemical compound

In more languages

Statements

type of chemical entity

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abietane diterpenoid

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348.193673996 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₀H₂₈O₅

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canonical SMILES

O=C(O)C1(C)CCCC2(C)C3C(C=C(C(=O)C3)C(O)(C)C)=CC(O)C12

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isomeric SMILES

CC(C)(O)C1=CC2=C[C@H](O)[C@H]3[C@](C)(C(=O)O)CCC[C@]3(C)[C@H]2CC1=O

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Pinus yunnanensis

1 reference

Abietane Diterpenoids and a Lignan from Pinus yunnanensis

Identifiers

InChI=1S/C20H28O5/c1-18(2,25)13-8-11-9-15(22)16-19(3,12(11)10-14(13)21)6-5-7-20(16,4)17(23)24/h8-9,12,15-16,22,25H,5-7,10H2,1-4H3,(H,23,24)/t12-,15-,16+,19+,20+/m0/s1

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QMSWKASVXHXIKB-JUNANHINSA-N

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1 reference

17 September 2022

based on heuristic

inferred from InChIKey

UniChem compound ID

1 reference

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