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(Q105303008)
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English
Mirasorvone
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
pregnane steroid
0 references
mass
328.203844756
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₁H₂₈O₃
0 references
canonical SMILES
O=C1C=C2C=CC3C(CCC45COC(O)(C)C5CCC34)C2(C)CC1
0 references
isomeric SMILES
C[C@]1(O)OC[C@]23CC[C@H]4[C@@H](C=CC5=CC(=O)CC[C@@]54C)[C@@H]2CC[C@H]13
0 references
found in taxon
Thermonectus marmoratus
1 reference
stated in
Mirasorvone: a masked 20-ketopregnane from the defensive secretion of a diving beetle (Thermonectus marmoratus)
Identifiers
InChI
InChI=1S/C21H28O3/c1-19-9-7-14(22)11-13(19)3-4-15-16(19)8-10-21-12-24-20(2,23)18(21)6-5-17(15)21/h3-4,11,15-18,23H,5-10,12H2,1-2H3/t15-,16+,17+,18-,19+,20+,21-/m1/s1
0 references
InChIKey
WEHXAGWLOMQQNN-SRWWVFQWSA-N
0 references
PubChem CID
11012895
2 references
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
matched by identifier from
InChIKey
InChIKey
WEHXAGWLOMQQNN-SRWWVFQWSA-N
UniChem compound ID
33536690
1 reference
stated in
UniChem
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