(Q104922004)

English

(1'S,2R,2'S,4'S,5R,7'S,8'R,9'S,12'S,13'R)-5,7',9',13'-tetramethyl-5'-oxaspiro[oxane-2,6'-pentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosan]-17'-en-16'-one

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

5',7,9,13-Tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-17-ene-6,2'-oxane]-16-one

1 reference

based on heuristic

inferred from SMILES

mass

412.29774514 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₇H₄₀O₃

0 references

canonical SMILES

O=C1C=C2CCC3C(CCC4(C)C3CC5OC6(OCC(C)CC6)C(C)C54)C2(C)CC1

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isomeric SMILES

C[C@H]1[C@H]2[C@H](C[C@H]3[C@@H]4CCC5=CC(=O)CC[C@]5(C)[C@H]4CC[C@@]32C)O[C@]12CC[C@@H](C)CO2

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found in taxon

Dracaena draco

1 reference

stated in

Icogenin, a new cytotoxic steroidal saponin isolated from Dracaena draco

Solanum violaceum

1 reference

stated in

Spirostanoids with 1,4-dien-3-one or 3β,7α-diol-5,6-ene moieties from Solanum violaceum.

Solanum nudum

3 references

stated in

Low temperature crystal structure of natural diosgenone.

stated in

Effect of Solanum nudum extracts on the liver of mice infected with Plasmodium berghei

stated in

Five new steroids from Solanum nudum

Identifiers

InChI

InChI=1S/C27H40O3/c1-16-7-12-27(29-15-16)17(2)24-23(30-27)14-22-20-6-5-18-13-19(28)8-10-25(18,3)21(20)9-11-26(22,24)4/h13,16-17,20-24H,5-12,14-15H2,1-4H3/t16-,17+,20-,21+,22+,23+,24+,25+,26+,27-/m1/s1

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InChIKey

AZXZUBZBLNFUPF-CLGLNXEMSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

AZXZUBZBLNFUPF-CLGLNXEMSA-N

1 reference

(Q104922004)

(1'S,2R,2'S,4'S,5R,7'S,8'R,9'S,12'S,13'R)-5,7',9',13'-tetramethyl-5'-oxaspiro[oxane-2,6'-pentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosan]-17'-en-16'-one

Statements

Identifiers

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