(Q105238662)

English

(4aR,5S,6R,8aR)-5-[2-[1-[2-(4-hydroxyphenyl)ethyl]-2,5-dioxopyrrol-3-yl]ethyl]-5,6,8a-trimethyl-3,4,4a,6,7,8-hexahydronaphthalene-1-carboxylic acid

chemical compound

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instance of

type of chemical entity

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subclass of

5-[2-[1-[2-(4-Hydroxyphenyl)ethyl]-2,5-dioxopyrrol-3-yl]ethyl]-5,6,8a-trimethyl-3,4,4a,6,7,8-hexahydronaphthalene-1-carboxylic acid

1 reference

based on heuristic

inferred from SMILES

mass

465.25152322 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₈H₃₅NO₅

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canonical SMILES

O=C(O)C1=CCCC2C1(C)CCC(C)C2(C)CCC3=CC(=O)N(C3=O)CCC4=CC=C(O)C=C4

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isomeric SMILES

C[C@@H]1CC[C@@]2(C)C(C(=O)O)=CCC[C@@H]2[C@@]1(C)CCC1=CC(=O)N(CCc2ccc(O)cc2)C1=O

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found in taxon

Casearia sylvestris

1 reference

stated in

New clerodane diterpenoids from Casearia sylvestris.

Identifiers

InChI

InChI=1S/C28H35NO5/c1-18-11-14-28(3)22(26(33)34)5-4-6-23(28)27(18,2)15-12-20-17-24(31)29(25(20)32)16-13-19-7-9-21(30)10-8-19/h5,7-10,17-18,23,30H,4,6,11-16H2,1-3H3,(H,33,34)/t18-,23-,27+,28+/m1/s1

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InChIKey

RKPIZVKHHGLWAO-UGSMBUAFSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

RKPIZVKHHGLWAO-UGSMBUAFSA-N

(Q105238662)

(4aR,5S,6R,8aR)-5-[2-[1-[2-(4-hydroxyphenyl)ethyl]-2,5-dioxopyrrol-3-yl]ethyl]-5,6,8a-trimethyl-3,4,4a,6,7,8-hexahydronaphthalene-1-carboxylic acid

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