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(Q104972389)
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Spiramine H
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
atidane / atisine / hetisan type alkaloid
0 references
atisane diterpenoid
0 references
mass
359.246043916
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₂H₃₃NO₃
0 references
canonical SMILES
O=C1CC2C(=C)C(O)C13CCC4C5(C)CN(CCO)CC4(CCC5)C3C2
0 references
isomeric SMILES
C=C1[C@H](O)[C@@]23CC[C@H]4[C@@]5(CCC[C@@]4(C)CN(CCO)C5)[C@@H]2C[C@@H]1CC3=O
0 references
found in taxon
Aconitum kusnezoffii
1 reference
stated in
Two new diterpenoid alkaloids, beiwusines A and B, from Aconitum kusnezoffii
Spiraea japonica
2 references
stated in
Five diterpene alkaloids from Spiraea japonica (Rosaceae)
stated in
New Spiramines from Spiraea japonica var. ovalifolia
Identifiers
InChI
InChI=1S/C22H33NO3/c1-14-15-10-17-21-6-3-5-20(2,12-23(13-21)8-9-24)16(21)4-7-22(17,19(14)26)18(25)11-15/h15-17,19,24,26H,1,3-13H2,2H3/t15-,16-,17+,19+,20+,21+,22+/m1/s1
0 references
InChIKey
CYKBPNPUBPPKTH-BCBLRFMSSA-N
0 references
PubChem CID
101104087
1 reference
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
UniChem compound ID
97830700
1 reference
stated in
UniChem
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