(Q104972100)

English

(1R,2R,4R)-4-bromo-2-[2-[(2S,3R,6S)-3-bromo-6-[(1S)-2-chloro-1-hydroxyethyl]-2,6-dimethyloxan-2-yl]ethyl]-3,3-dimethylcyclohexan-1-ol

chemical compound

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instance of

type of chemical entity

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subclass of

4-Bromo-2-[2-[3-bromo-6-(2-chloro-1-hydroxyethyl)-2,6-dimethyloxan-2-yl]ethyl]-3,3-dimethylcyclohexan-1-ol

1 reference

based on heuristic

inferred from SMILES

mass

502.048496796 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₁₉H₃₃Br₂ClO₃

0 references

canonical SMILES

ClCC(O)C1(OC(C)(CCC2C(O)CCC(Br)C2(C)C)C(Br)CC1)C

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isomeric SMILES

CC1(C)[C@H](Br)CC[C@@H](O)[C@@H]1CC[C@]1(C)O[C@](C)([C@H](O)CCl)CC[C@H]1Br

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found in taxon

Laurencia dendroidea

1 reference

stated in

Laurencianol, a new halogenated diterpenoid from the marne alga

Laurencia obtusa

1 reference

stated in

Laurencianol, a new halogenated diterpenoid from the marne alga

Identifiers

InChI

InChI=1S/C19H33Br2ClO3/c1-17(2)12(13(23)5-6-14(17)20)7-9-18(3)15(21)8-10-19(4,25-18)16(24)11-22/h12-16,23-24H,5-11H2,1-4H3/t12-,13+,14+,15+,16+,18-,19-/m0/s1

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InChIKey

CXSYXYOPYBYQCA-AHWGMODPSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

CXSYXYOPYBYQCA-AHWGMODPSA-N

(Q104972100)

(1R,2R,4R)-4-bromo-2-[2-[(2S,3R,6S)-3-bromo-6-[(1S)-2-chloro-1-hydroxyethyl]-2,6-dimethyloxan-2-yl]ethyl]-3,3-dimethylcyclohexan-1-ol

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