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(Q105208800)
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English
12-hydroxy-8-(2-hydroxypropan-2-yl)-2,3,23,23,25,25-hexamethyl-7,24-dioxa-31-azaoctacyclo[15.14.0.0²,¹⁵.0³,¹².0⁶,¹¹.0¹⁸,³⁰.0²⁰,²⁸.0²²,²⁷]hentriaconta-1(17),10,18,20(28),26,29-hexaen-9-yl acetate
group of stereoisomers with the chemical formula C₃₉H₅₁NO₆
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Statements
instance of
group of stereoisomers
0 references
subclass of
2,3,6-trimethylheptane monoterpenoid
1 reference
inferred from
2,3,6-trimethylheptane monoterpenoid
indole-diterpenoid alkaloid
1 reference
inferred from
indole-diterpenoid alkaloid
mass
629.3716383520001
dalton
1 reference
based on heuristic
inferred from InChI
chemical formula
C₃₉H₅₁NO₆
0 references
canonical SMILES
O=C(OC1C=C2C(OC1C(O)(C)C)CCC3(C)C2(O)CCC4CC=5C6=CC7=C(C=C6NC5C43C)C8=CC(OC(C)(C)C8C7)(C)C)C
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Identifiers
InChI
InChI=1S/C39H51NO6/c1-20(41)44-31-18-28-30(45-33(31)35(4,5)42)11-12-37(8)38(9)22(10-13-39(28,37)43)16-25-24-14-21-15-27-26(19-34(2,3)46-36(27,6)7)23(21)17-29(24)40-32(25)38/h14,17-19,22,27,30-31,33,40,42-43H,10-13,15-16H2,1-9H3
0 references
InChIKey
PGYSJEQVCATFBQ-UHFFFAOYSA-N
0 references
PubChem CID
10394234
1 reference
based on heuristic
inferred from InChIKey
UniChem compound ID
32002590
1 reference
stated in
UniChem
Human Metabolome Database ID
HMDB0030531
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
PGYSJEQVCATFBQ-UHFFFAOYSA-N
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