(Q110080657)

English

[14-(Hydroxymethyl)-5,5,9-trimethyl-14-tetracyclo[11.2.1.01,10.04,9]hexadecanyl] 8-methoxy-6-nitronaphtho[1,2-e][1,3]benzodioxole-5-carboxylate

group of stereoisomers with the chemical formula C₃₇H₄₃NO₈

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instance of

group of stereoisomers

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629.298867336 dalton

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based on heuristic

inferred from SMILES

chemical formula

C₃₇H₄₃NO₈

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canonical SMILES

O=C(OC1(CO)CC23CCC4C(C)(C)CCCC4(C)C3CCC1C2)C5=CC=6OCOC6C7=C8C=CC=C(OC)C8=CC(=C57)[N ](=O)[O-]

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found in taxon

Aristolochia pubescens

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stated in

Constituents from the root and stem of Aristolochia elegans

Aristolochia littoralis

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stated in

Diterpene esters of aristolochic acids from Aristolochia pubescens.

Aristolochia elegans

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stated in

Diterpene esters of aristolochic acids from Aristolochia pubescens.

Identifiers

InChI

InChI=1S/C37H43NO8/c1-34(2)12-6-13-35(3)28(34)11-14-36-17-21(9-10-29(35)36)37(18-36,19-39)46-33(40)24-16-27-32(45-20-44-27)31-22-7-5-8-26(43-4)23(22)15-25(30(24)31)38(41)42/h5,7-8,15-16,21,28-29,39H,6,9-14,17-20H2,1-4H3

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InChIKey

KFVNSGSGMMBVOZ-UHFFFAOYSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

KFVNSGSGMMBVOZ-UHFFFAOYSA-N

(Q110080657)

[14-(Hydroxymethyl)-5,5,9-trimethyl-14-tetracyclo[11.2.1.01,10.04,9]hexadecanyl] 8-methoxy-6-nitronaphtho[1,2-e][1,3]benzodioxole-5-carboxylate

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