(Q104914378)

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 5-benzoate 4,10-diacetate

chemical compound

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instance of

type of chemical entity

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subclass of

(2,8-Diacetyloxy-7-hydroxy-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) benzoate

1 reference

based on heuristic

inferred from SMILES

mass

610.277797544 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₄H₄₂O₁₀

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canonical SMILES

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

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isomeric SMILES

C=C(C)[C@H]1C=C[C@@H](OC(=O)c2ccccc2)[C@@]23CO[C@@](C)([C@H](OC(C)=O)[C@@]4(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

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stated in

Diterpenes from Euphorbia seguieriana

Euphorbia seguieri

1 reference

stated in

Diterpenes from Euphorbia seguieriana

Identifiers

InChI

InChI=1S/C34H42O10/c1-8-25(37)44-27-19(4)16-34(39)26(27)29(41-20(5)35)33-17-40-32(7,31(34)42-21(6)36)28(33)23(18(2)3)14-15-24(33)43-30(38)22-12-10-9-11-13-22/h9-15,19,23-24,26-29,31,39H,2,8,16-17H2,1,3-7H3/t19-,23+,24+,26+,27-,28-,29+,31-,32+,33+,34+/m0/s1

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InChIKey

ALVBKAVOAAMXPJ-DTIJCOPBSA-N

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2 references

26 December 2021

matched by identifier from

InChIKey

ALVBKAVOAAMXPJ-DTIJCOPBSA-N

1 reference

(Q104914378)

(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 5-benzoate 4,10-diacetate

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