(Q105255168)

English

(1S)-1beta-Bromo-4,10abeta-dimethyl-5beta-hydroperoxy-8beta-isopropyl-8aalpha-(bromomethyl)-1,2,3,4,4aalpha,4bbeta,5,8,8a,9,10,10a-dodecahydrophenanthrene-3alpha,4beta-diol

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

1-bromo-8a-(bromomethyl)-5-hydroperoxy-4,10a-dimethyl-8-propan-2-yl-2,3,4a,4b,5,8,9,10-octahydro-1H-phenanthrene-3,4-diol

1 reference

based on heuristic

inferred from SMILES

mass

494.066733704 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

(1S)-1beta-Bromo-4,10abeta-dimethyl-5beta-hydroperoxy-8beta-isopropyl-8aalpha-(bromomethyl)-1,2,3,4,4aalpha,4bbeta,5,8,8a,9,10,10a-dodecahydrophenanthrene-3beta,4beta-diol

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₀H₃₂Br₂O₄

0 references

canonical SMILES

BrCC12CCC3(C)C(Br)CC(O)C(O)(C)C3C2C(OO)C=CC1C(C)C

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isomeric SMILES

CC(C)[C@@H]1C=C[C@H](OO)[C@H]2[C@@H]3[C@](C)(O)[C@@H](O)C[C@H](Br)[C@@]3(C)CC[C@@]21CBr

0 references

found in taxon

Sphaerococcus coronopifolius

4 references

stated in

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

stated in

Cytotoxic bromoditerpenes from the red alga Sphaerococcus coronopifolius

stated in

Cytotoxic bromoditerpenes from the red alga Sphaerococcus coronopifolius

stated in

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

Dichotomaria marginata

1 reference

stated in

Cytotoxic oxygenated desmosterols of the red alga Galaxaura marginata

Galaxaura marginata

1 reference

stated in

Cytotoxic oxygenated desmosterols of the red alga Galaxaura marginata

Identifiers

InChI

InChI=1S/C20H32Br2O4/c1-11(2)12-5-6-13(26-25)16-17-18(3,7-8-20(12,16)10-21)14(22)9-15(23)19(17,4)24/h5-6,11-17,23-25H,7-10H2,1-4H3/t12-,13-,14-,15-,16-,17-,18+,19+,20-/m0/s1

0 references

InChIKey

SLASZMTUABGCGQ-VHXYLUBJSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

SLASZMTUABGCGQ-VHXYLUBJSA-N

1 reference

(Q105255168)

(1S)-1beta-Bromo-4,10abeta-dimethyl-5beta-hydroperoxy-8beta-isopropyl-8aalpha-(bromomethyl)-1,2,3,4,4aalpha,4bbeta,5,8,8a,9,10,10a-dodecahydrophenanthrene-3alpha,4beta-diol

Statements

Identifiers

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