(Q105285717)

English

(1S,10aR)-1alpha,3beta-Diacetoxy-7beta-[(2E)-3-methyl-2,4-pentadienyl]-7,8beta-dimethyl-10beta-(benzoyloxy)-3,5,6,6abeta,7,8,9,10-octahydronaphtho[1,8a-c]furan-5alpha-ol

chemical compound

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instance of

type of chemical entity

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subclass of

[1,3-Diacetyloxy-5-hydroxy-7,8-dimethyl-7-(3-methylpenta-2,4-dienyl)-1,3,5,6,6a,8,9,10-octahydrobenzo[d][2]benzofuran-10-yl] benzoate

1 reference

based on heuristic

inferred from SMILES

mass

538.256668176 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

[(1R,3R,5S,6aR,7R,8S,10S,10aR)-1,3-diacetyloxy-5-hydroxy-7,8-dimethyl-7-[(2E)-3-methylpenta-2,4-dienyl]-1,3,5,6,6a,8,9,10-octahydrobenzo[d][2]benzofuran-10-yl] benzoate

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₃₁H₃₈O₈

0 references

canonical SMILES

O=C(OC1CC(C)C(C)(CC=C(C=C)C)C2CC(O)C=C3C(OC(=O)C)OC(OC(=O)C)C312)C=4C=CC=CC4

0 references

isomeric SMILES

C=C/C(C)=C/C[C@@]1(C)[C@@H](C)C[C@@H](OC(=O)c2ccccc2)[C@]23C(=C[C@H](O)C[C@H]12)[C@H](OC(C)=O)O[C@H]3OC(C)=O

0 references

found in taxon

Casearia obliqua

1 reference

stated in

Cytotoxic clerodane diterpenoids from Casearia obliqua.

Identifiers

InChI

InChI=1S/C31H38O8/c1-7-18(2)13-14-30(6)19(3)15-26(38-27(35)22-11-9-8-10-12-22)31-24(16-23(34)17-25(30)31)28(36-20(4)32)39-29(31)37-21(5)33/h7-13,16,19,23,25-26,28-29,34H,1,14-15,17H2,2-6H3/b18-13+/t19-,23-,25+,26+,28+,29+,30-,31-/m0/s1

0 references

InChIKey

VGCCUPIWJIILLU-QPNANIHJSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

VGCCUPIWJIILLU-QPNANIHJSA-N

1 reference

(Q105285717)

(1S,10aR)-1alpha,3beta-Diacetoxy-7beta-[(2E)-3-methyl-2,4-pentadienyl]-7,8beta-dimethyl-10beta-(benzoyloxy)-3,5,6,6abeta,7,8,9,10-octahydronaphtho[1,8a-c]furan-5alpha-ol

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