(Q105344169)

English

[(2S)-1-[(5R,6S)-5-ethenyl-5-methyl-6-(3-oxoprop-1-en-2-yl)cyclohexen-1-yl]propan-2-yl] 8-methoxy-6-nitronaphtho[2,1-g][1,3]benzodioxole-5-carboxylate

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

aristolochic acids

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mass

557.204966952 dalton

1 reference

2 references

inferred from InChIKey

2 references

inferred from InChIKey

based on heuristic

inferred from InChI

[(2R)-1-[(5R,6R)-5-ethenyl-5-methyl-6-(3-oxoprop-1-en-2-yl)cyclohexen-1-yl]propan-2-yl] 8-methoxy-6-nitronaphtho[2,1-g][1,3]benzodioxole-5-carboxylate

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₃₂H₃₁NO₈

0 references

canonical SMILES

O=CC(=C)C1C(=CCCC1(C=C)C)CC(OC(=O)C2=CC=3OCOC3C4=C5C=CC=C(OC)C5=CC(=C24)[N+](=O)[O-])C

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isomeric SMILES

C=C[C@@]1(C)CCC=C(C[C@H](C)OC(=O)c2cc3c(c4c2c([N+](=O)[O-])cc2c(OC)cccc24)OCO3)[C@@H]1C(=C)C=O

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found in taxon

Aristolochia heterophylla

3 references

stated in

Sesquiterpene esters of aristolochic acid from the root and stem of Aristolochia heterophylla

stated in

The constituents of the root and stem of Aristolochia heterophylla Hemsl

stated in

Four aristolochic acid esters of rearranged ent-elemane sesquiterpenes from aristolochia heterophylla

Aristolochia mollissima

1 reference

stated in

Constituents of the roots and stems of Aristolochia mollissima

Isotrema mollissimum

1 reference

stated in

Constituents of the roots and stems of Aristolochia mollissima

Aristolochia kaempferi

3 references

stated in

The constituents of the root and stem of Aristolochia heterophylla Hemsl

stated in

Four aristolochic acid esters of rearranged ent-elemane sesquiterpenes from aristolochia heterophylla

stated in

Sesquiterpene esters of aristolochic acid from the root and stem of Aristolochia heterophylla

Identifiers

InChI

InChI=1S/C32H31NO8/c1-6-32(4)12-8-9-20(29(32)18(2)16-34)13-19(3)41-31(35)23-15-26-30(40-17-39-26)28-21-10-7-11-25(38-5)22(21)14-24(27(23)28)33(36)37/h6-7,9-11,14-16,19,29H,1-2,8,12-13,17H2,3-5H3/t19-,29-,32-/m0/s1

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InChIKey

XXQZGCCUBVSBKJ-HYUVJKPGSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

XXQZGCCUBVSBKJ-HYUVJKPGSA-N

1 reference

(Q105344169)

[(2S)-1-[(5R,6S)-5-ethenyl-5-methyl-6-(3-oxoprop-1-en-2-yl)cyclohexen-1-yl]propan-2-yl] 8-methoxy-6-nitronaphtho[2,1-g][1,3]benzodioxole-5-carboxylate

Statements

Identifiers

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