(Q105231920)

English

[(3aS,5aS,6R,9S,10aS)-6,9-dihydroxy-1-[(2R)-1-hydroxypropan-2-yl]-3a,5a-dimethyl-2,3,4,5,6,9,10,10a-octahydrocyclohepta[e]inden-8-yl]methyl benzoate

chemical compound

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instance of

type of chemical entity

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subclass of

[6,9-Dihydroxy-1-(1-hydroxypropan-2-yl)-3a,5a-dimethyl-2,3,4,5,6,9,10,10a-octahydrocyclohepta[e]inden-8-yl]methyl benzoate

1 reference

based on heuristic

inferred from SMILES

mass

440.256274252 dalton

1 reference

2 references

inferred from InChIKey

based on heuristic

inferred from InChI

[(3aS,5aS,6R,9R,10aS)-6,9-dihydroxy-1-[(2R)-1-hydroxypropan-2-yl]-3a,5a-dimethyl-2,3,4,5,6,9,10,10a-octahydrocyclohepta[e]inden-8-yl]methyl benzoate

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₇H₃₆O₅

0 references

canonical SMILES

O=C(OCC1=CC(O)C2(C)CCC3(C(=C(CC3)C(C)CO)C2CC1O)C)C=4C=CC=CC4

0 references

isomeric SMILES

C[C@@H](CO)C1=C2[C@@H]3C[C@H](O)C(COC(=O)c4ccccc4)=C[C@@H](O)[C@@]3(C)CC[C@]2(C)CC1

0 references

found in taxon

Hydnellum scabrosum

1 reference

stated in

Isolation and Characterization of New Bitter Diterpenoids from the Basidiomycete Sarcodon scabrosus

Sarcodon scabrosus

1 reference

stated in

Isolation and Characterization of New Bitter Diterpenoids from the Basidiomycete Sarcodon scabrosus

Identifiers

InChI

InChI=1S/C27H36O5/c1-17(15-28)20-9-10-26(2)11-12-27(3)21(24(20)26)14-22(29)19(13-23(27)30)16-32-25(31)18-7-5-4-6-8-18/h4-8,13,17,21-23,28-30H,9-12,14-16H2,1-3H3/t17-,21-,22-,23+,26-,27-/m0/s1

0 references

InChIKey

QZEMMWXYJUKIBS-FGMOSRPJSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

QZEMMWXYJUKIBS-FGMOSRPJSA-N

(Q105231920)

[(3aS,5aS,6R,9S,10aS)-6,9-dihydroxy-1-[(2R)-1-hydroxypropan-2-yl]-3a,5a-dimethyl-2,3,4,5,6,9,10,10a-octahydrocyclohepta[e]inden-8-yl]methyl benzoate

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Identifiers

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