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(Q105324264)
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sphaerollane I
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
0 references
mass
334.250794948
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₁H₃₄O₃
0 references
canonical SMILES
O=C(OC1C(=C)CCC2C(C=CC(O)(C)CC1)CCC2C(C)C)C
0 references
isomeric SMILES
C=C1CC[C@@H]2[C@@H](/C=C/[C@](C)(O)CC[C@H]1OC(C)=O)CC[C@@H]2C(C)C
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/C21H34O3/c1-14(2)18-9-7-17-10-12-21(5,23)13-11-20(24-16(4)22)15(3)6-8-19(17)18/h10,12,14,17-20,23H,3,6-9,11,13H2,1-2,4-5H3/b12-10+/t17-,18-,19-,20-,21+/m1/s1
0 references
InChIKey
XBAFJMNDOVYNFK-QHFNRRHCSA-N
0 references
PubChem CID
46231445
2 references
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
matched by identifier from
InChIKey
InChIKey
XBAFJMNDOVYNFK-QHFNRRHCSA-N
UniChem compound ID
228039
1 reference
stated in
UniChem
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