(Q110179340)

English

3-[[(1R,4aS,10aR)-1,4a-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthren-1-yl]oxy]-3-oxopropanoic acid

chemical compound

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Statements

instance of

type of chemical entity

0 references

1 reference

358.21440944 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₂H₃₀O₄

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canonical SMILES

O=C(O)CC(=O)OC1(C)CCCC2(C3=CC=C(C=C3CCC12)C(C)C)C

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isomeric SMILES

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

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found in taxon

Calceolaria pinifolia

1 reference

stated in

Antibacterial diterpenes from Calceolaria pinifolia

Identifiers

InChI

InChI=1S/C22H30O4/c1-14(2)15-6-8-17-16(12-15)7-9-18-21(17,3)10-5-11-22(18,4)26-20(25)13-19(23)24/h6,8,12,14,18H,5,7,9-11,13H2,1-4H3,(H,23,24)/t18-,21-,22-/m1/s1

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InChIKey

OKHGAAQNADNSGY-STZQEDGTSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

OKHGAAQNADNSGY-STZQEDGTSA-N

1 reference

(Q110179340)

3-[[(1R,4aS,10aR)-1,4a-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthren-1-yl]oxy]-3-oxopropanoic acid

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Identifiers

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