(Q105163005)

English

[(1S,2S,4S,7S,8R,9S,10S,11R,12R,18S,19R,20S)-9,10,20-triacetyloxy-7-(furan-3-yl)-1,8,12,17,17-pentamethyl-5,15-dioxo-3,6,16-trioxapentacyclo[9.9.0.02,4.02,8.012,18]icos-13-en-19-yl] acetate

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

[9,10,20-Triacetyloxy-7-(furan-3-yl)-1,8,12,17,17-pentamethyl-5,15-dioxo-3,6,16-trioxapentacyclo[9.9.0.02,4.02,8.012,18]icos-13-en-19-yl] acetate

1 reference

based on heuristic

inferred from SMILES

mass

672.24180596 dalton

1 reference

1 reference

C₃₄H₄₀O₁₄

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canonical SMILES

O=C1OC(C)(C)C2C(OC(=O)C)C(OC(=O)C)C3(C)C(C(OC(=O)C)C(OC(=O)C)C4(C)C(OC(=O)C5OC543)C6=COC=C6)C2(C=C1)C

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isomeric SMILES

CC(=O)O[C@@H]1[C@@H](OC(C)=O)[C@@]2(C)[C@H](c3ccoc3)OC(=O)[C@H]3O[C@]32[C@]2(C)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]3C(C)(C)OC(=O)C=C[C@]3(C)[C@@H]12

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found in taxon

Harrisonia perforata

1 reference

stated in

Quassinoids and Limonoids from Harrisonia perforata

Identifiers

InChI

InChI=1S/C34H40O14/c1-15(35)42-21-23-30(5,6)47-20(39)10-12-31(23,7)24-22(43-16(2)36)27(45-18(4)38)33(9)25(19-11-13-41-14-19)46-29(40)28-34(33,48-28)32(24,8)26(21)44-17(3)37/h10-14,21-28H,1-9H3/t21-,22+,23+,24-,25+,26-,27-,28-,31+,32+,33-,34+/m1/s1

0 references

InChIKey

MFTJTVBEGOKYTQ-OQWHITEVSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

MFTJTVBEGOKYTQ-OQWHITEVSA-N

(Q105163005)

[(1S,2S,4S,7S,8R,9S,10S,11R,12R,18S,19R,20S)-9,10,20-triacetyloxy-7-(furan-3-yl)-1,8,12,17,17-pentamethyl-5,15-dioxo-3,6,16-trioxapentacyclo[9.9.0.02,4.02,8.012,18]icos-13-en-19-yl] acetate

Statements

Identifiers

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