(Q115972432)

English

(1S,2S,5R,6S,9S,11R,13S,14S,15S,16S,18R,20R)-6,20-dimethyl-20-(4-methyl-3-methylidenepentyl)-17,19-dioxahexacyclo[14.4.1.02,15.02,18.05,14.06,11]henicosane-9,13,14-triol

chemical compound

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Statements

instance of

type of chemical entity

0 references

1 reference

460.318874508 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

(20R)-7,8-dihydroxypaxisterol

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₈H₄₄O₅

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canonical SMILES

OC1CCC2(C)C(C1)CC(O)C3(O)C2CCC45C6OC(CC4C(O6)(C)CCC(=C)C(C)C)C35

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isomeric SMILES

C=C(CC[C@@]1(C)O[C@H]2O[C@H]3C[C@H]1[C@]21CC[C@@H]2[C@@]4(C)CC[C@H](O)C[C@@H]4C[C@H](O)[C@@]2(O)[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)21-14-19-23-27(21,24(32-19)33-26)11-8-20-25(4)9-7-18(29)12-17(25)13-22(30)28(20,23)31/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

XJLWIBHADPJVNO-QUDWIRTCSA-N

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2 references

3 January 2023

inferred from InChIKey

matched by identifier from

InChIKey

XJLWIBHADPJVNO-QUDWIRTCSA-N

1 reference

(Q115972432)

(1S,2S,5R,6S,9S,11R,13S,14S,15S,16S,18R,20R)-6,20-dimethyl-20-(4-methyl-3-methylidenepentyl)-17,19-dioxahexacyclo[14.4.1.02,15.02,18.05,14.06,11]henicosane-9,13,14-triol

Statements

Identifiers

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