(Q105015527)

English

(17S)-1alpha,7alpha-Diacetoxy-14beta,15beta:21,23-diepoxy-4,17-dihydroxy-13alpha-methyl-23-des(2-methylpropyl)-30-nor-3,4:16,17-disecodammara-20,22-diene-3,16-dioic acid 3,4:16,17-bislactone

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

13-(acetyloxy)-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]icosan-20-yl acetate

1 reference

based on heuristic

inferred from SMILES

mass

558.246497416 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

[(1S,2R,4S,7S,8S,11R,12S,13S,18R,20R)-13-acetyloxy-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]icosan-20-yl] acetate

1 reference

based on heuristic

inferred from InChI

chemical formula

C₃₀H₃₈O₁₀

0 references

canonical SMILES

O=C(OC1CC(=O)OC(C)(C)C2CC(OC(=O)C)C3(C)C(CCC4(C)C(OC(=O)C5OC543)C6=COC=C6)C12C)C

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isomeric SMILES

CC(=O)O[C@H]1CC(=O)OC(C)(C)[C@@H]2C[C@@H](OC(C)=O)[C@]3(C)[C@H](CC[C@@]4(C)[C@H](c5ccoc5)OC(=O)[C@H]5O[C@]543)[C@@]12C

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found in taxon

Cedrela odorata

1 reference

stated in

Limonoids from the stem bark of Cedrela odorata

Dictamnus dasycarpus

1 reference

stated in

Sesquiterpene glycosides from Dictamnus dasycarpus

Xylocarpus granatum

1 reference

stated in

Comment: 7α-Acetoxydihydronomilin and mexicanolide: limonoids from Xylocarpus granatum (Koenig)

Identifiers

InChI

InChI=1S/C30H38O10/c1-15(31)36-20-13-22(33)39-26(3,4)19-12-21(37-16(2)32)29(7)18(28(19,20)6)8-10-27(5)23(17-9-11-35-14-17)38-25(34)24-30(27,29)40-24/h9,11,14,18-21,23-24H,8,10,12-13H2,1-7H3/t18-,19+,20+,21-,23+,24-,27+,28-,29+,30-/m1/s1

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InChIKey

GQQJGWLFWUBFAV-CWSUONMZSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

GQQJGWLFWUBFAV-CWSUONMZSA-N

1 reference

(Q105015527)

(17S)-1alpha,7alpha-Diacetoxy-14beta,15beta:21,23-diepoxy-4,17-dihydroxy-13alpha-methyl-23-des(2-methylpropyl)-30-nor-3,4:16,17-disecodammara-20,22-diene-3,16-dioic acid 3,4:16,17-bislactone

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Identifiers

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