(Q105026770)

English

[(1R,9S,12R)-4-bromo-1,5,12-trimethyl-8-oxatricyclo[7.2.1.02,7]dodeca-2(7),3,5-trien-9-yl]methanol

chemical compound

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instance of

type of chemical entity

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subclass of

(4-Bromo-1,5,12-trimethyl-8-oxatricyclo[7.2.1.02,7]dodeca-2(7),3,5-trien-9-yl)methanol

1 reference

based on heuristic

inferred from SMILES

mass

310.056841948 dalton

1 reference

2 references

inferred from InChIKey

based on heuristic

inferred from InChI

[(1S,9R,12S)-4-bromo-1,5,12-trimethyl-8-oxatricyclo[7.2.1.02,7]dodeca-2(7),3,5-trien-9-yl]methanol

1 reference

based on heuristic

inferred from InChI

chemical formula

C₁₅H₁₉BrO₂

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canonical SMILES

BrC1=CC2=C(OC3(CO)CCC2(C)C3C)C=C1C

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isomeric SMILES

Cc1cc2c(cc1Br)[C@]1(C)CC[C@](CO)(O2)[C@@H]1C

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found in taxon

Laurencia dendroidea

2 references

stated in

Heterocladol, a halogenated selinane sesquiterpene of biosynthetic significance from the red alga Laurencia filiformis: Its isolation, crystal structure andabsolute configuration

stated in

New laurene derivatives from Laurencia filiformis

Laurencia filiformis

2 references

stated in

Heterocladol, a halogenated selinane sesquiterpene of biosynthetic significance from the red alga Laurencia filiformis: Its isolation, crystal structure andabsolute configuration

stated in

New laurene derivatives from Laurencia filiformis

Identifiers

InChI

InChI=1S/C15H19BrO2/c1-9-6-13-11(7-12(9)16)14(3)4-5-15(8-17,18-13)10(14)2/h6-7,10,17H,4-5,8H2,1-3H3/t10-,14-,15-/m1/s1

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InChIKey

HEDUCRHYGUKWLO-VCTAVGKDSA-N

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CAS Registry Number

62311-76-6

1 reference

stated in

CAS (formerly Chemical Abstracts Service)

25 January 2022

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

HEDUCRHYGUKWLO-VCTAVGKDSA-N

1 reference

(Q105026770)

[(1R,9S,12R)-4-bromo-1,5,12-trimethyl-8-oxatricyclo[7.2.1.02,7]dodeca-2(7),3,5-trien-9-yl]methanol

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