(Q105193639)

English

(13R)-7-Oxo-13-ethoxyabieta-8(14)-ene-18-oic acid

chemical compound

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Statements

type of chemical entity

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abietane diterpenoid

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362.245709568 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₂H₃₄O₄

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canonical SMILES

O=C(O)C1(C)CCCC2(C)C3C(=CC(OCC)(CC3)C(C)C)C(=O)CC12

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isomeric SMILES

CCO[C@]1(C(C)C)C=C2C(=O)C[C@H]3[C@](C)(C(=O)O)CCC[C@]3(C)[C@H]2CC1

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Pinus massoniana

1 reference

Diterpenoids from Pinus massoniana resin and their cytotoxicity against A431 and A549 cells

Identifiers

InChI=1S/C22H34O4/c1-6-26-22(14(2)3)11-8-16-15(13-22)17(23)12-18-20(16,4)9-7-10-21(18,5)19(24)25/h13-14,16,18H,6-12H2,1-5H3,(H,24,25)/t16-,18+,20+,21+,22-/m0/s1

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OKMFHXAEWQEMEU-GMOZNSKDSA-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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