(Q105324054)

English

7-[5-[(1S,2R,4aS,5R,8aR)-1,2,4a,5-tetramethyl-2,3,4,5,8,8a-hexahydronaphthalen-1-yl]-3-methylpent-2-enyl]-9-methylpurin-9-ium-6-amine

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

clerodane diterpenoid

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purine alkaloid

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mass

422.32782270009 dalton

1 reference

2 references

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₂₆H₄₀N₅⁺

1 reference

based on heuristic

inferred from SMILES

canonical SMILES

N=1C=NC2=C(C1N)N(C=[N+]2C)CC=C(C)CCC3(C)C(C)CCC4(C)C(C=CCC43)C

0 references

isomeric SMILES

CC(=CCn1c[n+](C)c2ncnc(N)c21)CC[C@@]1(C)[C@H](C)CC[C@@]2(C)[C@H](C)C=CC[C@@H]21

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found in taxon

Agelas mauritiana

1 reference

stated in

Agelasines J, K, and L from the Solomon Islands Marine Sponge Agelas cf. mauritiana

Identifiers

InChI

InChI=1S/C26H40N5/c1-18(12-15-31-17-30(6)24-22(31)23(27)28-16-29-24)10-13-25(4)20(3)11-14-26(5)19(2)8-7-9-21(25)26/h7-8,12,16-17,19-21H,9-11,13-15H2,1-6H3,(H2,27,28,29)/q+1/t19-,20-,21-,25+,26+/m1/s1

0 references

InChIKey

XAPVYYQNAMLWTM-SGTIZYPZSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

XAPVYYQNAMLWTM-SGTIZYPZSA-N

(Q105324054)

7-[5-[(1S,2R,4aS,5R,8aR)-1,2,4a,5-tetramethyl-2,3,4,5,8,8a-hexahydronaphthalen-1-yl]-3-methylpent-2-enyl]-9-methylpurin-9-ium-6-amine

Statements

Identifiers

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