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(Q105232337)
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English
[17-(5-ethyl-6-methylhept-3-en-2-yl)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] heptadec-16-en-12-ynoate
group of stereoisomers with the chemical formula C₄₆H₇₄O₂
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Statements
instance of
group of stereoisomers
0 references
subclass of
stigmastan-type steroid
1 reference
inferred from
stigmastan-type steroid
mass
658.568881608
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₄₆H₇₄O₂
0 references
canonical SMILES
O=C(OC1CC2=CCC3C(CCC4(C)C(CCC34)C(C=CC(CC)C(C)C)C)C2(C)CC1)CCCCCCCCCCC#CCCC=C
0 references
found in taxon
Scleropyrum maingayi
1 reference
stated in
Antimycobacterial and antiplasmodial unsaturated carboxylic acid from the twigs of Scleropyrum wallichianum
Identifiers
InChI
InChI=1S/C46H74O2/c1-8-10-11-12-13-14-15-16-17-18-19-20-21-22-23-44(47)48-39-30-32-45(6)38(34-39)26-27-40-42-29-28-41(46(42,7)33-31-43(40)45)36(5)24-25-37(9-2)35(3)4/h8,24-26,35-37,39-43H,1,9-11,14-23,27-34H2,2-7H3
0 references
InChIKey
QZSGEPQHRMOJIE-UHFFFAOYSA-N
0 references
PubChem CID
72990239
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
QZSGEPQHRMOJIE-UHFFFAOYSA-N
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