(Q105225413)

English

[(1R,3aR,4E,6S,9E,12S,12aS)-1-(2-hydroxypropan-2-yl)-3a,6,10-trimethyl-2,3,6,7,8,11,12,12a-octahydro-1H-cyclopenta[11]annulen-12-yl] acetate

chemical compound

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instance of

type of chemical entity

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subclass of

[1-(2-hydroxypropan-2-yl)-3a,6,10-trimethyl-2,3,6,7,8,11,12,12a-octahydro-1H-cyclopenta[11]annulen-12-yl] acetate

1 reference

based on heuristic

inferred from SMILES

mass

348.266445012 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

(1R,2E,4R,7E,10S,11S,12R)-10-acetoxy-18-hydroxy-2,7-dolabelladiene

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

[(1S,3aS,4E,6R,9E,12R,12aR)-1-(2-hydroxypropan-2-yl)-3a,6,10-trimethyl-2,3,6,7,8,11,12,12a-octahydro-1H-cyclopenta[11]annulen-12-yl] acetate

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₂H₃₆O₃

0 references

canonical SMILES

O=C(OC1CC(=CCCC(C=CC2(C)CCC(C12)C(O)(C)C)C)C)C

0 references

isomeric SMILES

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

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found in taxon

Dictyota dichotoma

1 reference

stated in

New diterpenoids from the alga Dictyota dichotoma

Rugulopteryx okamurae

1 reference

stated in

Dictyterpenoids A and B, two novel diterpenoids with feeding-deterrent activity from the brown alga Dilophus okamurae

Dictyota spiralis

1 reference

stated in

Dolabellanes with antibacterial activity from the brown alga Dilophus spiralis

Dolabella californica

1 reference

stated in

Diterpenes from Dolabella californica

Identifiers

InChI

InChI=1S/C22H36O3/c1-15-8-7-9-16(2)14-19(25-17(3)23)20-18(21(4,5)24)11-13-22(20,6)12-10-15/h9-10,12,15,18-20,24H,7-8,11,13-14H2,1-6H3/b12-10+,16-9+/t15-,18+,19-,20+,22-/m0/s1

0 references

InChIKey

QPIUBKNTZMBLLI-ZEWQPTNTSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

QPIUBKNTZMBLLI-ZEWQPTNTSA-N

(Q105225413)

[(1R,3aR,4E,6S,9E,12S,12aS)-1-(2-hydroxypropan-2-yl)-3a,6,10-trimethyl-2,3,6,7,8,11,12,12a-octahydro-1H-cyclopenta[11]annulen-12-yl] acetate

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