(Q104935837)

English

(3aS,5aR,9R,10aS)-9-benzoyloxy-8-(benzoyloxymethyl)-5a-methyl-6-oxo-1-propan-2-yl-3,4,5,9,10,10a-hexahydro-2H-cyclohepta[g]indene-3a-carboxylic acid

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

9-(benzoyloxy)-8-[(benzoyloxy)methyl]-1-isopropyl-5a-methyl-6-oxo-2H,3H,4H,5H,9H,10H,10aH-cyclohepta[e]indene-3a-carboxylic acid

1 reference

based on heuristic

inferred from SMILES

mass

556.246103492 dalton

1 reference

1 reference

C₃₄H₃₆O₇

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canonical SMILES

O=C(OCC1=CC(=O)C2(C)CCC3(C(=O)O)C(=C(CC3)C(C)C)C2CC1OC(=O)C=4C=CC=CC4)C=5C=CC=CC5

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isomeric SMILES

CC(C)C1=C2[C@@H]3C[C@@H](OC(=O)c4ccccc4)C(COC(=O)c4ccccc4)=CC(=O)[C@]3(C)CC[C@@]2(C(=O)O)CC1

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found in taxon

Hydnellum scabrosum

1 reference

stated in

New antibacterial diterpenoids from the Sarcodon scabrosus fungus

Sarcodon scabrosus

1 reference

stated in

New antibacterial diterpenoids from the Sarcodon scabrosus fungus

Identifiers

InChI

InChI=1S/C34H36O7/c1-21(2)25-14-15-34(32(38)39)17-16-33(3)26(29(25)34)19-27(41-31(37)23-12-8-5-9-13-23)24(18-28(33)35)20-40-30(36)22-10-6-4-7-11-22/h4-13,18,21,26-27H,14-17,19-20H2,1-3H3,(H,38,39)/t26-,27+,33+,34-/m0/s1

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InChIKey

BHACRICJKFFIAH-MZCDEXMASA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

BHACRICJKFFIAH-MZCDEXMASA-N

(Q104935837)

(3aS,5aR,9R,10aS)-9-benzoyloxy-8-(benzoyloxymethyl)-5a-methyl-6-oxo-1-propan-2-yl-3,4,5,9,10,10a-hexahydro-2H-cyclohepta[g]indene-3a-carboxylic acid

Statements

Identifiers

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