(Q105171176)

English

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

chemical compound

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instance of

type of chemical entity

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subclass of

(6-hydroxy-6,12a-dimethyl-10-methylidene-1-propan-2-yl-2,3,3a,7,8,9,11,12-octahydro-1H-cyclopenta[11]annulen-9-yl) acetate

1 reference

based on heuristic

inferred from SMILES

mass

348.266445012 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₂H₃₆O₃

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canonical SMILES

O=C(OC1C(=C)CCC2(C)C(C=CC(O)(C)CC1)CCC2C(C)C)C

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isomeric SMILES

C=C1CC[C@]2(C)[C@@H](/C=C/[C@@](C)(O)CC[C@@H]1OC(C)=O)CC[C@@H]2C(C)C

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found in taxon

Sphaerococcus coronopifolius

1 reference

stated in

Structure and in vitro antitumor activity evaluation of brominated diterpenes from the red alga Sphaerococcus coronopifolius

Identifiers

InChI

InChI=1S/C22H36O3/c1-15(2)19-8-7-18-10-12-21(5,24)13-11-20(25-17(4)23)16(3)9-14-22(18,19)6/h10,12,15,18-20,24H,3,7-9,11,13-14H2,1-2,4-6H3/b12-10+/t18-,19-,20+,21-,22-/m1/s1

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InChIKey

MSHQCXZTTKTIFR-MZSCBDPQSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

MSHQCXZTTKTIFR-MZSCBDPQSA-N

(Q105171176)

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

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