(Q105113372)

English

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

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

aristolochic acids

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mass

527.194402268 dalton

1 reference

2 references

inferred from InChIKey

1 reference

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

1 reference

based on heuristic

inferred from InChI

chemical formula

C₃₁H₂₉NO₇

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canonical SMILES

O=CC(=C)C1C(=CCCC1(C=C)C)CC(OC(=O)C2=CC=3OCOC3C=4C=5C=CC=CC5C=C(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-])cc2ccccc24)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

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

stated in

The constituents of the root and stem of Aristolochia heterophylla Hemsl

Aristolochia kaempferi

3 references

stated in

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

stated in

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

stated in

The constituents of the root and stem of Aristolochia heterophylla Hemsl

Identifiers

InChI

InChI=1S/C31H29NO7/c1-5-31(4)12-8-10-21(28(31)18(2)16-33)13-19(3)39-30(34)23-15-25-29(38-17-37-25)27-22-11-7-6-9-20(22)14-24(26(23)27)32(35)36/h5-7,9-11,14-16,19,28H,1-2,8,12-13,17H2,3-4H3/t19-,28-,31+/m1/s1

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InChIKey

IIBMSRRBRIHDMP-CBZABXCBSA-N

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1 reference

17 September 2022

inferred from InChIKey

1 reference

(Q105113372)

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

Statements

Identifiers

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