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English
Epoxylathyrol
chemical compound
(1aR,2E,2'R,4aR,6S,7S,7aR,8S,11aS)-1a,4a,5,6,7,7a,8,10,11,11a-Decahydro-4a,7,8-trihydroxy-1,1,3,6-tetramethylspiro[9H-cyclopenta[a]cyclopropa[f]cycloundecene-9,2'-oxiran]-4(1H)-one
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Statements
instance of
type of chemical entity
0 references
subclass of
lathyrane diterpenoid
1 reference
based on heuristic
inferred from SMILES
mass
350.20932406
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
(1'R,2R,3'Z,5'R,7'S,11'S,12'R,13'S,14'S)-1',11',13'-trihydroxy-3',6',6',14'-tetramethylspiro[oxirane-2,10'-tricyclo[10.3.0.0⁵,⁷]pentadecan]-3'-en-2'-one
1 reference
based on heuristic
inferred from InChI
chemical formula
C₂₀H₃₀O₅
0 references
canonical SMILES
CC1=CC2C(CCC3(CO3)C(O)C3C(O)C(C)CC3(O)C1=O)C2(C)C
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
C/C1=C/[C@@H]2[C@H](CC[C@@]3(CO3)[C@@H](O)[C@H]3[C@@H](O)[C@@H](C)C[C@]3(O)C1=O)C2(C)C
1 reference
based on heuristic
inferred from InChI
Identifiers
InChI
InChI=1S/C20H30O5/c1-10-7-13-12(18(13,3)4)5-6-19(9-25-19)17(23)14-15(21)11(2)8-20(14,24)16(10)22/h7,11-15,17,21,23-24H,5-6,8-9H2,1-4H3/b10-7-/t11-,12-,13+,14+,15-,17-,19+,20+/m0/s1
0 references
InChIKey
VEFQDSXSELSHMX-HMZDNQSVSA-N
1 reference
based on heuristic
inferred from InChI
CAS Registry Number
28649-60-7
0 references
PubChem CID
56841080
1 reference
matched by identifier from
InChIKey
InChIKey
VEFQDSXSELSHMX-HMZDNQSVSA-N
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