(Q105165283)

English

[(E)-5-[(1R,2R,3R,4S)-2,4-dimethyl-3-[(3E,7S,8R,11E)-7,8,13-trihydroxy-4,8,12-trimethyltrideca-3,11-dienyl]-7-oxabicyclo[2.2.1]heptan-2-yl]-2-methylpent-2-enyl] acetate

chemical compound

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type of chemical entity

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1 reference

[5-[2,4-Dimethyl-3-(7,8,13-trihydroxy-4,8,12-trimethyltrideca-3,11-dienyl)-7-oxabicyclo[2.2.1]heptan-2-yl]-2-methylpent-2-enyl] acetate

1 reference

based on heuristic

inferred from SMILES

(2E)-5-[(1R,2R,3R,4S)-2,4-dimethyl-3-[(3E,11E)-7,8,13-trihydroxy-4,8,12-trimethyltrideca-3,11-dien-1-yl]-7-oxabicyclo[2.2.1]heptan-2-yl]-2-methylpent-2-en-1-yl acetate

1 reference

based on heuristic

inferred from SMILES

mass

534.392039448 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

[(E)-5-[(1S,2S,3S,4R)-2,4-dimethyl-3-[(3E,7S,8S,11E)-7,8,13-trihydroxy-4,8,12-trimethyltrideca-3,11-dienyl]-7-oxabicyclo[2.2.1]heptan-2-yl]-2-methylpent-2-enyl] acetate

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

[(E)-5-[(1R,2R,3R,4S)-2,4-dimethyl-3-[(3E,7R,8R,11E)-7,8,13-trihydroxy-4,8,12-trimethyltrideca-3,11-dienyl]-7-oxabicyclo[2.2.1]heptan-2-yl]-2-methylpent-2-enyl] acetate

2 references

based on heuristic

inferred from InChIKey

2 references

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₃₂H₅₄O₆

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canonical SMILES

O=C(OCC(=CCCC1(C)C2OC(C)(CC2)C1CCC=C(C)CCC(O)C(O)(C)CCC=C(C)CO)C)C

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isomeric SMILES

CC(=O)OC/C(C)=C/CC[C@@]1(C)[C@H]2CC[C@](C)(O2)[C@@H]1CC/C=C(\C)CC[C@H](O)[C@](C)(O)CC/C=C(\C)CO

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found in taxon

Daldinia concentrica

1 reference

stated in

Concentriols B, C and D, three squalene-type triterpenoids from the ascomycete Daldinia concentrica

Identifiers

InChI

InChI=1S/C32H54O6/c1-23(15-16-28(35)31(6,36)19-10-12-24(2)21-33)11-8-14-27-30(5,29-17-20-32(27,7)38-29)18-9-13-25(3)22-37-26(4)34/h11-13,27-29,33,35-36H,8-10,14-22H2,1-7H3/b23-11+,24-12+,25-13+/t27-,28+,29-,30-,31-,32+/m1/s1

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InChIKey

MIYUGOVPVJJFCL-CYHWDTFHSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

MIYUGOVPVJJFCL-CYHWDTFHSA-N

(Q105165283)

[(E)-5-[(1R,2R,3R,4S)-2,4-dimethyl-3-[(3E,7S,8R,11E)-7,8,13-trihydroxy-4,8,12-trimethyltrideca-3,11-dienyl]-7-oxabicyclo[2.2.1]heptan-2-yl]-2-methylpent-2-enyl] acetate

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