(Q105190362)

English

[(1R,3S,4S,5R,7S,8R,9R,10E,12S,13S,14R)-8,9,13-triacetyloxy-3,6,6,10,14-pentamethyl-2-oxo-16-oxatetracyclo[10.3.1.01,12.05,7]hexadec-10-en-4-yl] acetate

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

4,8,9-tris(acetyloxy)-3,6,6,10,14-pentamethyl-2-oxo-16-oxatetracyclo[10.3.1.0¹,¹².0⁵,⁷]hexadec-10-en-13-yl acetate

1 reference

based on heuristic

inferred from SMILES

mass

534.246497416 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

[(1R,3S,4S,5R,7S,8R,9S,10Z,12S,13S,14S)-8,9,13-triacetyloxy-3,6,6,10,14-pentamethyl-2-oxo-16-oxatetracyclo[10.3.1.01,12.05,7]hexadec-10-en-4-yl] acetate

1 reference

based on heuristic

inferred from InChI

[(1R,3R,4R,5R,7S,8S,9R,10E,12S,13S,14R)-8,9,13-triacetyloxy-3,6,6,10,14-pentamethyl-2-oxo-16-oxatetracyclo[10.3.1.01,12.05,7]hexadec-10-en-4-yl] acetate

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₈H₃₈O₁₀

0 references

canonical SMILES

O=C(OC1C(=CC23OC3(C(=O)C(C)C(OC(=O)C)C4C(C1OC(=O)C)C4(C)C)CC(C)C2OC(=O)C)C)C

0 references

isomeric SMILES

CC(=O)O[C@@H]1[C@H](C)C(=O)[C@@]23C[C@@H](C)[C@H](OC(C)=O)[C@]2(/C=C(\C)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]2[C@@H]1C2(C)C)O3

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found in taxon

Euphorbia royleana

1 reference

stated in

Macrocyclic diterpene esters from Euphorbia royleana

Identifiers

InChI

InChI=1S/C28H38O10/c1-12-10-28-25(37-18(7)32)13(2)11-27(28,38-28)24(33)14(3)22(35-16(5)30)19-20(26(19,8)9)23(36-17(6)31)21(12)34-15(4)29/h10,13-14,19-23,25H,11H2,1-9H3/b12-10+/t13-,14+,19+,20-,21-,22-,23-,25+,27+,28+/m1/s1

0 references

InChIKey

OELNYBPMAKRSFQ-LWDJISRNSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

OELNYBPMAKRSFQ-LWDJISRNSA-N

(Q105190362)

[(1R,3S,4S,5R,7S,8R,9R,10E,12S,13S,14R)-8,9,13-triacetyloxy-3,6,6,10,14-pentamethyl-2-oxo-16-oxatetracyclo[10.3.1.01,12.05,7]hexadec-10-en-4-yl] acetate

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