(Q115971899)

English

(1S,3R,5S,6S,8R,9S,10S,13R,14S,17S,19R,21R)-5,14-dimethyl-5-(4-methyl-3-methylidenepentyl)-2,4-dioxahexacyclo[11.8.0.01,9.03,10.06,10.014,19]henicosane-8,17,21-triol

chemical compound

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instance of

type of chemical entity

0 references

1 reference

460.318874508 dalton

1 reference

2 references

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₂₈H₄₄O₅

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canonical SMILES

OC1CCC2(C)C(C1)CC(O)C34OC5OC(C)(CCC(=C)C(C)C)C6CC(O)C3C56CCC42

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isomeric SMILES

C=C(CC[C@]1(C)O[C@@H]2O[C@@]34[C@H](O)C[C@H]5C[C@@H](O)CC[C@]5(C)[C@H]3CC[C@]23[C@H]4[C@H](O)C[C@@H]31)C(C)C

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found in taxon

Penicillium aurantiacobrunneum

1 reference

stated in

α-Pyrone and Sterol Constituents of Penicillium aurantiacobrunneum, a Fungal Associate of the Lichen Niebla homalea

Identifiers

InChI

InChI=1S/C28H44O5/c1-15(2)16(3)6-10-26(5)21-14-19(30)23-27(21)11-8-20-25(4)9-7-18(29)12-17(25)13-22(31)28(20,23)33-24(27)32-26/h15,17-24,29-31H,3,6-14H2,1-2,4-5H3/t17-,18+,19-,20-,21-,22-,23-,24-,25+,26+,27+,28-/m1/s1

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InChIKey

ULMXQCHYFQWPAN-MYDNPBMTSA-N

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1 reference

3 January 2023

inferred from InChIKey

1 reference

(Q115971899)

(1S,3R,5S,6S,8R,9S,10S,13R,14S,17S,19R,21R)-5,14-dimethyl-5-(4-methyl-3-methylidenepentyl)-2,4-dioxahexacyclo[11.8.0.01,9.03,10.06,10.014,19]henicosane-8,17,21-triol

Statements

Identifiers

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