(Q105020570)

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-propanoate 4,10,10a-triacetate 5-nicotinate

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

2,7,8-tris(acetyloxy)-5,9-dimethyl-11-(prop-1-en-2-yl)-4-(propanoyloxy)-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

653.283611196 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

[(1S,2S,3S,4R,5R,7S,8S,9S,10S,11R,14S)-2,7,8-triacetyloxy-5,9-dimethyl-4-propanoyloxy-11-prop-1-en-2-yl-16-oxatetracyclo[7.5.2.01,10.03,7]hexadec-12-en-14-yl] pyridine-3-carboxylate

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₃₅H₄₃NO₁₁

0 references

canonical SMILES

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

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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(C)=O)[C@@]4(OC(C)=O)C[C@H](C)[C@H](OC(=O)CC)[C@@H]4[C@H]2OC(C)=O)[C@H]13

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found in taxon

Euphorbia seguieriana

1 reference

stated in

Diterpenes from Euphorbia seguieriana

Euphorbia seguieri

1 reference

stated in

Diterpenes from Euphorbia seguieriana

Identifiers

InChI

InChI=1S/C35H43NO11/c1-9-26(40)46-28-19(4)15-35(47-22(7)39)27(28)30(43-20(5)37)34-17-42-33(8,32(35)44-21(6)38)29(34)24(18(2)3)12-13-25(34)45-31(41)23-11-10-14-36-16-23/h10-14,16,19,24-25,27-30,32H,2,9,15,17H2,1,3-8H3/t19-,24+,25+,27+,28-,29-,30+,32-,33+,34+,35+/m0/s1

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InChIKey

GUUVHELORAYJAH-PSNONLJUSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

GUUVHELORAYJAH-PSNONLJUSA-N

1 reference

(Q105020570)

(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-propanoate 4,10,10a-triacetate 5-nicotinate

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