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(Q103786200)
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English
(1S,4aR,5'R,6R,8aR)-6-hydroxy-2,5,5,5',8a-pentamethyl-4a,6,7,8-tetrahydro-4H-spiro[naphthalene-1,2'-oxolan]-5'-ylacetic acid
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
2-(3-hydroxy-2',4,4,7,8a-pentamethylspiro[2,3,4a,5-tetrahydro-1H-naphthalene-8,5'-oxolane]-2'-yl)acetic acid
1 reference
based on heuristic
inferred from SMILES
mass
336.23005950399994
dalton
1 reference
based on heuristic
inferred from isomeric SMILES
stereoisomer of
2-[(2'S,3S,4aS,8R,8aS)-3-hydroxy-2',4,4,7,8a-pentamethylspiro[2,3,4a,5-tetrahydro-1H-naphthalene-8,5'-oxolane]-2'-yl]acetic acid
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
2-[(2'R,3S,4aR,8R,8aS)-3-hydroxy-2',4,4,7,8a-pentamethylspiro[2,3,4a,5-tetrahydro-1H-naphthalene-8,5'-oxolane]-2'-yl]acetic acid
1 reference
based on heuristic
inferred from InChI
chemical formula
C₂₀H₃₂O₄
0 references
canonical SMILES
O=C(O)CC1(OC2(C(=CCC3C(C)(C)C(O)CCC32C)C)CC1)C
0 references
isomeric SMILES
CC1=CC[C@@H]2C(C)(C)[C@H](O)CC[C@@]2(C)[C@]12CC[C@](C)(CC(=O)O)O2
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Identifiers
InChI
InChI=1S/C20H32O4/c1-13-6-7-14-17(2,3)15(21)8-9-19(14,5)20(13)11-10-18(4,24-20)12-16(22)23/h6,14-15,21H,7-12H2,1-5H3,(H,22,23)/t14-,15-,18-,19-,20+/m1/s1
0 references
InChIKey
NRFUGXICRLTIFH-NGTQAZIISA-N
0 references
PubChem CID
14138792
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
NRFUGXICRLTIFH-NGTQAZIISA-N
UniChem compound ID
97809993
1 reference
stated in
UniChem
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