(Q105004492)

English

(2S)-2alpha,9-Dimethyl-8alpha-(1-methylethenyl)-2,3,3abeta,4,5,8,8aalpha,9,10,10a-decahydro-1H-9beta,4abeta-(epoxymethano)benz[f]azulene-3alpha,4beta,5alpha,10alpha,10aalpha-pentol 3,4,10a-triacetate 5,10-dinicotinate

chemical compound

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instance of

type of chemical entity

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subclass of

[2,4,7-Triacetyloxy-5,9-dimethyl-11-prop-1-en-2-yl-8-(pyridine-3-carbonyloxy)-16-oxatetracyclo[7.5.2.01,10.03,7]hexadec-12-en-14-yl] pyridine-3-carboxylate

1 reference

based on heuristic

inferred from SMILES

mass

702.278860164 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₈H₄₂N₂O₁₁

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canonical SMILES

O=C(OC1C=CC(C(=C)C)C2C3(OCC12C(OC(=O)C)C4C(OC(=O)C)C(C)CC4(OC(=O)C)C3OC(=O)C=5C=NC=CC5)C)C=6C=NC=CC6

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isomeric SMILES

C=C(C)[C@H]1C=C[C@@H](OC(=O)c2cccnc2)[C@@]23CO[C@@](C)([C@H](OC(=O)c4cccnc4)[C@@]4(OC(C)=O)C[C@H](C)[C@H](OC(C)=O)[C@@H]4[C@H]2OC(C)=O)[C@H]13

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found in taxon

Euphorbia seguieriana

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stated in

Diterpenes from Euphorbia seguieriana

Euphorbia seguieri

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stated in

Diterpenes from Euphorbia seguieriana

Identifiers

InChI

InChI=1S/C38H42N2O11/c1-20(2)27-12-13-28(49-33(44)25-10-8-14-39-17-25)37-19-46-36(7,31(27)37)35(50-34(45)26-11-9-15-40-18-26)38(51-24(6)43)16-21(3)30(47-22(4)41)29(38)32(37)48-23(5)42/h8-15,17-18,21,27-32,35H,1,16,19H2,2-7H3/t21-,27+,28+,29+,30-,31-,32+,35-,36+,37+,38+/m0/s1

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InChIKey

FYIFMJORFGEHIK-JVHVZTGESA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

FYIFMJORFGEHIK-JVHVZTGESA-N

1 reference

(Q105004492)

(2S)-2alpha,9-Dimethyl-8alpha-(1-methylethenyl)-2,3,3abeta,4,5,8,8aalpha,9,10,10a-decahydro-1H-9beta,4abeta-(epoxymethano)benz[f]azulene-3alpha,4beta,5alpha,10alpha,10aalpha-pentol 3,4,10a-triacetate 5,10-dinicotinate

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Identifiers

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