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(Q104943912)
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English
5b-Hydroxy-2,2,13b,13c-tetramethyl-2,3,5b,6,7,7a,8,13,13b,13c,14,15-dodecahydro-4h-3,15a-epoxy[1]benzoxepino[6',7':6,7]indeno[1,2-b]indol-4-one
group of stereoisomers with the chemical formula C₂₇H₃₁NO₄
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Statements
instance of
group of stereoisomers
0 references
subclass of
indole-diterpenoid alkaloid
1 reference
inferred from
indole-diterpenoid alkaloid
mass
433.5404
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₇H₃₁NO₄
0 references
canonical SMILES
O=C1C=C2C3(OC1C(O3)(C)C)CCC4(C)C2(O)CCC5CC=6C=7C=CC=CC7NC6C54C
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Identifiers
InChI
InChI=1S/C27H31NO4/c1-23(2)22-19(29)14-20-26(30)10-9-15-13-17-16-7-5-6-8-18(16)28-21(17)25(15,4)24(26,3)11-12-27(20,31-22)32-23/h5-8,14-15,22,28,30H,9-13H2,1-4H3
0 references
InChIKey
BPTIXFRJAOKMRK-UHFFFAOYSA-N
0 references
PubChem CID
114727
1 reference
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
UniChem compound ID
61753207
1 reference
stated in
UniChem
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