(Q105140278)

English

[(4aR,5S,8R,8aR)-8a-hydroxy-3,4a,5-trimethyl-2-oxo-5,6,7,8-tetrahydro-4H-benzo[f][1]benzofuran-8-yl] (E,2R,3S,6R)-3-hydroxy-6-(hydroxymethyl)-2,4-dimethyldodec-4-enoate

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

(8a-hydroxy-3,4a,5-trimethyl-2-oxo-5,6,7,8-tetrahydro-4H-benzo[f][1]benzofuran-8-yl) 3-hydroxy-6-(hydroxymethyl)-2,4-dimethyldodec-4-enoate

1 reference

based on heuristic

inferred from SMILES

mass

518.324353812 dalton

1 reference

1 reference

C₃₀H₄₆O₇

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canonical SMILES

O=C1OC2=CC3(O)C(OC(=O)C(C)C(O)C(=CC(CO)CCCCCC)C)CCC(C)C3(C)CC2=C1C

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isomeric SMILES

CCCCCC[C@H](/C=C(\C)[C@@H](O)[C@@H](C)C(=O)O[C@@H]1CC[C@H](C)[C@@]2(C)CC3=C(C)C(=O)OC3=C[C@]12O)CO

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found in taxon

Berkleasmium nigroapicale

1 reference

stated in

Cytotoxic eremophilane sesquiterpenoids from the saprobic fungus Berkleasmium nigroapicale BCC 8220

Pestalotia photiniae

1 reference

stated in

Eremophilane-Type Sesquiterpenoids from the Fermentation Broth of Plant Endophytic Fungus Pestalotiopsis photiniae Isolated from the Chinese Podocarpaceae Plant Podocarpus macrophyllus

Pestalotiopsis photiniae

1 reference

stated in

Eremophilane-Type Sesquiterpenoids from the Fermentation Broth of Plant Endophytic Fungus Pestalotiopsis photiniae Isolated from the Chinese Podocarpaceae Plant Podocarpus macrophyllus

Podocarpus macrophyllus

1 reference

stated in

Eremophilane-Type Sesquiterpenoids from the Fermentation Broth of Plant Endophytic Fungus Pestalotiopsis photiniae Isolated from the Chinese Podocarpaceae Plant Podocarpus macrophyllus

Identifiers

InChI

InChI=1S/C30H46O7/c1-7-8-9-10-11-22(17-31)14-18(2)26(32)21(5)28(34)37-25-13-12-19(3)29(6)15-23-20(4)27(33)36-24(23)16-30(25,29)35/h14,16,19,21-22,25-26,31-32,35H,7-13,15,17H2,1-6H3/b18-14+/t19-,21+,22+,25+,26+,29+,30-/m0/s1

0 references

InChIKey

KFAAXPBWXDDAGK-OXPDNWIKSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

KFAAXPBWXDDAGK-OXPDNWIKSA-N

(Q105140278)

[(4aR,5S,8R,8aR)-8a-hydroxy-3,4a,5-trimethyl-2-oxo-5,6,7,8-tetrahydro-4H-benzo[f][1]benzofuran-8-yl] (E,2R,3S,6R)-3-hydroxy-6-(hydroxymethyl)-2,4-dimethyldodec-4-enoate

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Identifiers

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