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(Q82904023)
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English
{5b-[(2,3-Dimethylbutanoyl)oxy]-9a-(dodecanoyloxy)-5,5a-dihydroxy-1,1,6a,8-tetramethyl-10-oxo-1a,2,5,5a,5b,6a,7,8,9,9a-decahydro-1h-2,7a-methanocyclopropa[5',6']cyclodeca[1',2':3,4]cyclopenta[1,2-b]oxiren-4-yl}methyl hexadecanoate
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
ingenane diterpenoid
0 references
mass
898.65339908
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₅₄H₉₀O₁₀
0 references
canonical SMILES
O=C(OCC1=CC2C(=O)C3(CC4(OC4(OC(=O)C(C)C(C)C)C3(O)C1O)C)C(C)CC5(OC(=O)CCCCCCCCCCC)C2C5(C)C)CCCCCCCCCCCCCCC
0 references
found in taxon
Euphorbia kansui
2 references
stated in
Antitumor agents, 119. Kansuiphorins A and B, two novel antileukemic diterpene esters from Euphorbia kansui
stated in
Cytotoxicity and antiviral activity of the compounds from Euphorbia kansui
Identifiers
InChI
InChI=1S/C54H90O10/c1-10-12-14-16-18-20-21-22-23-25-26-28-30-32-43(55)61-36-41-34-42-45-49(7,8)52(45,62-44(56)33-31-29-27-24-19-17-15-13-11-2)35-39(5)51(47(42)58)37-50(9)54(64-50,53(51,60)46(41)57)63-48(59)40(6)38(3)4/h34,38-40,42,45-46,57,60H,10-33,35-37H2,1-9H3
0 references
InChIKey
HHACYVPWGSDXCM-UHFFFAOYSA-N
0 references
CAS Registry Number
135928-39-1
0 references
PubChem CID
160018
2 references
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
matched by identifier from
InChIKey
InChIKey
HHACYVPWGSDXCM-UHFFFAOYSA-N
UniChem compound ID
61903235
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID60929182
1 reference
matched by identifier from
InChIKey
InChIKey
HHACYVPWGSDXCM-UHFFFAOYSA-N
DSSTOX compound identifier
DTXCID801357935
0 references
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