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(Q104976698)
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Neodolastane
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
6-bromo-3a,5a,9-trimethyl-3-propan-2-yl-2,3,4,5,6,7,8,9a,10,10a-decahydro-1H-benzo[f]azulene-9,10-diol
1 reference
based on heuristic
inferred from SMILES
mass
386.18204246
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
(3R,3aR,5aR,6R,9S,9aS,10S,10aR)-6-bromo-3a,5a,9-trimethyl-3-propan-2-yl-2,3,4,5,6,7,8,9a,10,10a-decahydro-1H-benzo[f]azulene-9,10-diol
1 reference
based on heuristic
inferred from InChI
chemical formula
C₂₀H₃₅BrO₂
0 references
canonical SMILES
BrC1CCC(O)(C)C2C(O)C3CCC(C(C)C)C3(C)CCC12C
0 references
isomeric SMILES
CC(C)[C@@H]1CC[C@@H]2[C@@H](O)[C@H]3[C@](C)(CC[C@@]12C)[C@@H](Br)CC[C@@]3(C)O
0 references
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/C20H35BrO2/c1-12(2)13-6-7-14-16(22)17-19(4,11-10-18(13,14)3)15(21)8-9-20(17,5)23/h12-17,22-23H,6-11H2,1-5H3/t13-,14+,15-,16+,17-,18-,19+,20+/m0/s1
0 references
InChIKey
DDQRJEVPJMWPLK-FQBPZLHKSA-N
0 references
PubChem CID
46232272
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
DDQRJEVPJMWPLK-FQBPZLHKSA-N
UniChem compound ID
351038
1 reference
stated in
UniChem
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