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(Q105166368)
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Sphaerococcenol A
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
8a-(Bromomethyl)-4-hydroxy-4,10a-dimethyl-8-propan-2-yl-4a,4b,7,8,9,10-hexahydrophenanthren-3-one
1 reference
based on heuristic
inferred from SMILES
mass
380.135092268
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
(4S,4aS,4bR,8S,8aS,10aS)-8a-(bromomethyl)-4-hydroxy-4,10a-dimethyl-8-propan-2-yl-4a,4b,7,8,9,10-hexahydrophenanthren-3-one
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
chemical formula
C₂₀H₂₉BrO₂
0 references
canonical SMILES
O=C1C=CC2(C)CCC3(CBr)C(C=CCC3C(C)C)C2C1(O)C
0 references
isomeric SMILES
CC(C)[C@@H]1CC=C[C@H]2[C@@H]3[C@](C)(O)C(=O)C=C[C@@]3(C)CC[C@]12CBr
0 references
found in taxon
Sphaerococcus coronopifolius
12 references
stated in
New bromoditerpenes from the red alga Sphaerococcus coronopifolius
stated in
Recent Results in the Chemistry of Mediterranean Algae
stated in
Terpenes from the red alga Sphaerococcus coronopifolius of the north Adriatic Sea
stated in
Isolation of an antimicrobial bromoditerpene from a marine alga aided by improved bioautography
stated in
New bromoditerpenes from the red alga Sphaerococcus coronopifolius
stated in
New 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
stated in
Cytotoxic bromoditerpenes from the red alga Sphaerococcus coronopifolius
stated in
New bromoditerpenes from the red alga Sphaerococcus coronopifolius
stated in
Terpenes from the red alga Sphaerococcus coronopifolius of the north Adriatic Sea
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
Spongia zimocca
1 reference
stated in
C15 acetogenins and terpenes of the dictyoceratid sponge Spongia zimocca of Il Rogiolo: A case of seaweed-metabolite transfer to, and elaboration within, a sponge?
Identifiers
InChI
InChI=1S/C20H29BrO2/c1-13(2)14-6-5-7-15-17-18(3,10-11-20(14,15)12-21)9-8-16(22)19(17,4)23/h5,7-9,13-15,17,23H,6,10-12H2,1-4H3/t14-,15-,17-,18-,19+,20-/m0/s1
0 references
InChIKey
MLAJPUJSVVNEHK-SYVORCANSA-N
0 references
PubChem CID
21775031
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
MLAJPUJSVVNEHK-SYVORCANSA-N
UniChem compound ID
63647
1 reference
stated in
UniChem
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