(Q104966879)

English

(1S,8aalpha)-3,4abeta,8,8-Tetramethyl-4beta-[(E)-3-methyl-2,4-pentadienyl]-1alpha,2beta,3alpha-decalintriol 1-acetate

chemical compound

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instance of

type of chemical entity

0 references

subclass of

[2,3-dihydroxy-3,4a,8,8-tetramethyl-4-(3-methylpenta-2,4-dienyl)-2,4,5,6,7,8a-hexahydro-1H-naphthalen-1-yl] acetate

1 reference

based on heuristic

inferred from SMILES

mass

364.261359632 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

[(1S,2R,3R,4S,4aR,8aS)-2,3-dihydroxy-3,4a,8,8-tetramethyl-4-[(2Z)-3-methylpenta-2,4-dienyl]-2,4,5,6,7,8a-hexahydro-1H-naphthalen-1-yl] acetate

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

[(1R,2S,3S,4R,4aS,8aS)-2,3-dihydroxy-3,4a,8,8-tetramethyl-4-[(2Z)-3-methylpenta-2,4-dienyl]-2,4,5,6,7,8a-hexahydro-1H-naphthalen-1-yl] acetate

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₂H₃₆O₄

0 references

canonical SMILES

O=C(OC1C(O)C(O)(C)C(CC=C(C=C)C)C2(C)CCCC(C)(C)C12)C

0 references

isomeric SMILES

C=C/C(C)=C/C[C@@H]1[C@@](C)(O)[C@H](O)[C@@H](OC(C)=O)[C@@H]2C(C)(C)CCC[C@@]12C

0 references

found in taxon

Croton glabellus

1 reference

stated in

Absolute configuration assignments by experimental and theoretical approaches of ent-labdane- and cis-ent-clerodane-type diterpenes isolated from Croton glabellus

Identifiers

InChI

InChI=1S/C22H36O4/c1-8-14(2)10-11-16-21(6)13-9-12-20(4,5)18(21)17(26-15(3)23)19(24)22(16,7)25/h8,10,16-19,24-25H,1,9,11-13H2,2-7H3/b14-10+/t16-,17-,18+,19+,21-,22+/m0/s1

0 references

InChIKey

COFSRJDBTTZNBZ-YBODUADKSA-N

0 references

1 reference

17 September 2022

inferred from InChIKey

1 reference

(Q104966879)

(1S,8aalpha)-3,4abeta,8,8-Tetramethyl-4beta-[(E)-3-methyl-2,4-pentadienyl]-1alpha,2beta,3alpha-decalintriol 1-acetate

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