(Q105219205)

English

(5'R,6R,7S,9S,13R)-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-14,17-diene-6,2'-oxane]-16-one

group of stereoisomers with the chemical formula C₂₇H₃₈O₃

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Statements

instance of

group of stereoisomers

0 references

1 reference

410.282095076 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₇H₃₈O₃

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canonical SMILES

O=C1C=CC2(C(=C1)CCC3C2CCC4(C)C3CC5OC6(OCC(C)CC6)C(C)C54)C

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isomeric SMILES

C[C@H]1C2C(CC3C4CCC5=CC(=O)C=C[C@]5(C)C4CC[C@@]32C)O[C@]12CC[C@@H](C)CO2

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found in taxon

Streptomyces virginiae

1 reference

stated in

Characterization of P450 FcpC, the enzyme responsible for bioconversion of diosgenone to isonuatigenone in Streptomyces virginiae IBL-14.

Identifiers

InChI

InChI=1S/C27H38O3/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/h8,10,13,16-17,20-24H,5-7,9,11-12,14-15H2,1-4H3/t16-,17+,20?,21?,22?,23?,24?,25+,26+,27-/m1/s1

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InChIKey

QEGQIJLALWETNE-DMGLISFHSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

QEGQIJLALWETNE-DMGLISFHSA-N

(Q105219205)

(5'R,6R,7S,9S,13R)-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-14,17-diene-6,2'-oxane]-16-one

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Identifiers

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