(Q115970942)

English

(2R,4R,8R,9R,10R,14S,17R,18S,19R)-17-hydroxy-2,3',4',8,10,14,18-heptamethyl-5'-oxospiro[5-oxapentacyclo[11.8.0.02,10.04,9.014,19]henicos-1(13)-ene-6,2'-furan]-18-carbaldehyde

group of stereoisomers with the chemical formula C₃₁H₄₄O₅

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Statements

instance of

group of stereoisomers

0 references

1 reference

496.318874508 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₁H₄₄O₅

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canonical SMILES

O=CC1(C)C(O)CCC2(C3=C(CCC21)C4(C)CC5OC6(OC(=O)C(=C6C)C)CC(C)C5C4(C)CC3)C

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isomeric SMILES

CC1=C(C)C2(C[C@@H](C)[C@H]3[C@@H](C[C@@]4(C)C5=C(CC[C@]34C)[C@@]3(C)CC[C@@H](O)[C@@](C)(C=O)[C@@H]3CC5)O2)OC1=O

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found in taxon

Hexagonia apiaria

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stated in

Chemical Constituents from the Fruiting Bodies of Hexagonia apiaria and Their Anti-inflammatory Activity

Identifiers

InChI

InChI=1S/C31H44O5/c1-17-14-31(19(3)18(2)26(34)36-31)35-22-15-30(7)21-8-9-23-27(4,12-11-24(33)28(23,5)16-32)20(21)10-13-29(30,6)25(17)22/h16-17,22-25,33H,8-15H2,1-7H3/t17-,22-,23-,24-,25+,27-,28+,29-,30+,31?/m1/s1

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InChIKey

AIIFPMZCMGTNMA-GIITXSIFSA-N

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2 references

3 January 2023

inferred from InChIKey

matched by identifier from

InChIKey

AIIFPMZCMGTNMA-GIITXSIFSA-N

1 reference

(Q115970942)

(2R,4R,8R,9R,10R,14S,17R,18S,19R)-17-hydroxy-2,3',4',8,10,14,18-heptamethyl-5'-oxospiro[5-oxapentacyclo[11.8.0.02,10.04,9.014,19]henicos-1(13)-ene-6,2'-furan]-18-carbaldehyde

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Identifiers

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