(Q105352579)

English

[(1R,2R,6R,10R,11R,13R,14R,15S)-1,4,8,11,12,12,15-heptamethyl-13-(2-methylpropanoyloxy)-5-oxo-14-tetracyclo[8.5.0.02,6.011,13]pentadeca-3,8-dienyl] benzoate

chemical compound

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instance of

type of chemical entity

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subclass of

chemical compound

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mass

518.303224444 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₃H₄₂O₅

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canonical SMILES

O=C(OC1C(C)C2(C)C3C=C(C(=O)C3CC(=CC2C4(C)C1(OC(=O)C(C)C)C4(C)C)C)C)C=5C=CC=CC5

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isomeric SMILES

CC1=C[C@@H]2[C@](C)([C@H](C)[C@@H](OC(=O)c3ccccc3)[C@@]3(OC(=O)C(C)C)C(C)(C)[C@@]23C)[C@@H]2C=C(C)C(=O)[C@@H]2C1

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found in taxon

Euphorbia bupleuroides

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stated in

Terpenoids and other constituents from Euphorbia bupleuroides

Identifiers

InChI

InChI=1S/C33H42O5/c1-18(2)28(35)38-33-27(37-29(36)22-13-11-10-12-14-22)21(5)31(8)24-17-20(4)26(34)23(24)15-19(3)16-25(31)32(33,9)30(33,6)7/h10-14,16-18,21,23-25,27H,15H2,1-9H3/t21-,23-,24-,25-,27-,31-,32-,33-/m1/s1

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InChIKey

YQTZYDOJRMSXRA-MIOUUXTKSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

YQTZYDOJRMSXRA-MIOUUXTKSA-N

(Q105352579)

[(1R,2R,6R,10R,11R,13R,14R,15S)-1,4,8,11,12,12,15-heptamethyl-13-(2-methylpropanoyloxy)-5-oxo-14-tetracyclo[8.5.0.02,6.011,13]pentadeca-3,8-dienyl] benzoate

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Identifiers

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