(Q105244972)

English

(6R)-6-[(1E)-2,6-dimethylhepta-1,5-dienyl]-3-[(2E)-3,7-dimethylocta-2,6-dienyl]-2-hydroxy-8,8-dioxo-6,9,10,11-tetrahydrochromeno[4,3-g][1,4]benzothiazine-7,12-dione

chemical compound

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instance of

type of chemical entity

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subclass of

6-(2,6-Dimethylhepta-1,5-dienyl)-3-(3,7-dimethylocta-2,6-dienyl)-2-hydroxy-8,8-dioxo-6,9,10,11-tetrahydrochromeno[4,3-g][1,4]benzothiazine-7,12-dione

1 reference

based on heuristic

inferred from SMILES

mass

591.265459032 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₄H₄₁NO₆S

0 references

canonical SMILES

O=C1C=2NCCS(=O)(=O)C2C(=O)C3=C1C=4C=C(O)C(=CC4OC3C=C(C)CCC=C(C)C)CC=C(C)CCC=C(C)C

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isomeric SMILES

CC(C)=CCC/C(C)=C/Cc1cc2c(cc1O)C1=C(C(=O)C3=C(NCCS3(=O)=O)C1=O)[C@@H](/C=C(\C)CCC=C(C)C)O2

0 references

found in taxon

Aplidium conicum

1 reference

stated in

Antitumor effects of two novel naturally occurring terpene quinones isolated from the Mediterranean ascidian Aplidium conicum.

Identifiers

InChI

InChI=1S/C34H41NO6S/c1-20(2)9-7-11-22(5)13-14-24-18-27-25(19-26(24)36)29-30(28(41-27)17-23(6)12-8-10-21(3)4)33(38)34-31(32(29)37)35-15-16-42(34,39)40/h9-10,13,17-19,28,35-36H,7-8,11-12,14-16H2,1-6H3/b22-13+,23-17+/t28-/m1/s1

0 references

InChIKey

RSYQGCBRLDOENZ-QKGSUZRZSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

RSYQGCBRLDOENZ-QKGSUZRZSA-N

(Q105244972)

(6R)-6-[(1E)-2,6-dimethylhepta-1,5-dienyl]-3-[(2E)-3,7-dimethylocta-2,6-dienyl]-2-hydroxy-8,8-dioxo-6,9,10,11-tetrahydrochromeno[4,3-g][1,4]benzothiazine-7,12-dione

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