(Q105232595)

English

(1R,9R,10S,12R,13S,14R,16S,17S,18R)-13-ethyl-8-methyl-8,15-diazahexacyclo[14.2.1.01,9.02,7.010,15.012,17]nonadeca-2(7),3,5-triene-6,14,18-triol

chemical compound

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Statements

instance of

group of stereoisomers

0 references

1 reference

342.194342692 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₀H₂₆N₂O₃

0 references

canonical SMILES

OC1=CC=CC2=C1N(C)C3C4N5C(O)C(CC)C(C4)C6C(O)C23CC56

0 references

isomeric SMILES

CC[C@H]1[C@@H]2C[C@H]3[C@@H]4N(C)c5c(O)cccc5[C@]45C[C@@H]([C@H]2[C@H]5O)N3[C@@H]1O

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found in taxon

Rauvolfia serpentina

1 reference

stated in

New alkaloids of the sarpagine group from Rauvolfia serpentina hairy root culture.

Identifiers

InChI

InChI=1S/C20H26N2O3/c1-3-9-10-7-12-17-20(11-5-4-6-14(23)16(11)21(17)2)8-13(15(10)18(20)24)22(12)19(9)25/h4-6,9-10,12-13,15,17-19,23-25H,3,7-8H2,1-2H3/t9-,10-,12-,13-,15-,17-,18+,19+,20+/m0/s1

0 references

InChIKey

RAGDTPVHROXSDN-IWCYVRMPSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

RAGDTPVHROXSDN-IWCYVRMPSA-N

(Q105232595)

(1R,9R,10S,12R,13S,14R,16S,17S,18R)-13-ethyl-8-methyl-8,15-diazahexacyclo[14.2.1.01,9.02,7.010,15.012,17]nonadeca-2(7),3,5-triene-6,14,18-triol

Statements

Identifiers

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