(Q104963765)

English

(2S)-9-[(Z)-3-phenylprop-2-enoyl]-2-[4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyphenyl]-1,5,9-triazacyclotridecan-4-one

chemical compound

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instance of

type of chemical entity

0 references

subclass of

9-(3-Phenylprop-2-enoyl)-2-[4-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyphenyl]-1,5,9-triazacyclotridecan-4-one

1 reference

based on heuristic

inferred from SMILES

mass

567.294450652 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

(2S)-9-[(E)-3-phenylprop-2-enoyl]-2-[4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyphenyl]-1,5,9-triazacyclotridecan-4-one

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₃₁H₄₁N₃O₇

0 references

canonical SMILES

CC1OC(Oc2ccc(C3CC(=O)NCCCN(C(=O)C=Cc4ccccc4)CCCCN3)cc2)C(O)C(O)C1O

0 references

isomeric SMILES

C[C@@H]1O[C@@H](Oc2ccc([C@@H]3CC(=O)NCCCN(C(=O)/C=C\c4ccccc4)CCCCN3)cc2)[C@H](O)[C@H](O)[C@H]1O

0 references

found in taxon

Dracocephalum tanguticum

1 reference

stated in

Dracotanosides A-D, spermidine glycosides from Dracocephalum tanguticum: structure and amide rotational barrier.

Identifiers

InChI

InChI=1S/C31H41N3O7/c1-21-28(37)29(38)30(39)31(40-21)41-24-13-11-23(12-14-24)25-20-26(35)33-17-7-19-34(18-6-5-16-32-25)27(36)15-10-22-8-3-2-4-9-22/h2-4,8-15,21,25,28-32,37-39H,5-7,16-20H2,1H3,(H,33,35)/b15-10-/t21-,25-,28-,29+,30+,31-/m0/s1

0 references

InChIKey

CLPCQMNDVNDJJP-FTIIMHTPSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

CLPCQMNDVNDJJP-FTIIMHTPSA-N

1 reference

(Q104963765)

(2S)-9-[(Z)-3-phenylprop-2-enoyl]-2-[4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyphenyl]-1,5,9-triazacyclotridecan-4-one

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Identifiers

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