(Q105307999)

English

(2S,4S,6S,7R,8R,9R,12R,13R,15S,16R,18R)-2,7,15,16-tetrahydroxy-6-[(1S,2S)-1-hydroxy-2,3-dimethylbutyl]-7,9,13-trimethyl-5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-1(20)-en-19-one

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

2,7,15,16-Tetrahydroxy-6-(1-hydroxy-2,3-dimethylbutyl)-7,9,13-trimethyl-5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-1(20)-en-19-one

1 reference

1 reference

492.308703748 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₈H₄₄O₇

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canonical SMILES

O=C1C=C2C(CCC3(C)C4C(OC(C(O)C(C)C(C)C)C4(O)C)CC23O)C5(C)CC(O)C(O)CC15

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isomeric SMILES

CC(C)[C@H](C)[C@H](O)[C@@H]1O[C@H]2C[C@@]3(O)C4=CC(=O)[C@@H]5C[C@@H](O)[C@@H](O)C[C@]5(C)[C@H]4CC[C@]3(C)[C@H]2[C@@]1(C)O

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found in taxon

Polyporus umbellatus

1 reference

stated in

New anti-inflammatory ergostane-type ecdysteroids from the sclerotium of Polyporus umbellatus

Identifiers

InChI

InChI=1S/C28H44O7/c1-13(2)14(3)22(32)24-27(6,33)23-21(35-24)12-28(34)16-9-18(29)17-10-19(30)20(31)11-25(17,4)15(16)7-8-26(23,28)5/h9,13-15,17,19-24,30-34H,7-8,10-12H2,1-6H3/t14-,15-,17-,19+,20-,21-,22-,23-,24-,25+,26+,27+,28+/m0/s1

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InChIKey

WLJSJUHWAWNUMY-HBTIYDMCSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

WLJSJUHWAWNUMY-HBTIYDMCSA-N

(Q105307999)

(2S,4S,6S,7R,8R,9R,12R,13R,15S,16R,18R)-2,7,15,16-tetrahydroxy-6-[(1S,2S)-1-hydroxy-2,3-dimethylbutyl]-7,9,13-trimethyl-5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-1(20)-en-19-one

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