(Q104920829)

English

[(1R,2S,5R,9S,10S,13S,15S,16R)-16-acetyloxy-5-methyl-7-oxo-17-oxapentacyclo[14.2.1.01,13.02,10.05,9]nonadecan-15-yl] acetate

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

[(1R,5R,15S,16S)-16-acetyloxy-5-methyl-7-oxo-17-oxapentacyclo[14.2.1.01,13.02,10.05,9]nonadecan-15-yl] acetate

1 reference

based on heuristic

inferred from SMILES

15-(acetyloxy)-5-methyl-7-oxo-17-oxapentacyclo[14.2.1.0¹,¹³.0²,¹⁰.0⁵,⁹]nonadecan-16-yl acetate

1 reference

based on heuristic

inferred from SMILES

mass

404.219888744 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₃H₃₂O₆

0 references

canonical SMILES

O=C(OC1CC2CCC3C4CC(=O)CC4(C)CCC3C52COC1(OC(=O)C)C5)C

0 references

isomeric SMILES

CC(=O)O[C@H]1C[C@@H]2CC[C@H]3[C@@H]4CC(=O)C[C@@]4(C)CC[C@@H]3[C@]23CO[C@@]1(OC(C)=O)C3

0 references

found in taxon

Trichilia claussenii

1 reference

stated in

Androstane and pregnane 2β,19-hemiketal steroids from Trichilia claussenii

Identifiers

InChI

InChI=1S/C23H32O6/c1-13(24)28-20-8-15-4-5-17-18(6-7-21(3)10-16(26)9-19(17)21)22(15)11-23(20,27-12-22)29-14(2)25/h15,17-20H,4-12H2,1-3H3/t15-,17+,18-,19-,20-,21+,22+,23+/m0/s1

0 references

InChIKey

AXUYMNBYBROCLN-ZCQLBBLLSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

AXUYMNBYBROCLN-ZCQLBBLLSA-N

(Q104920829)

[(1R,2S,5R,9S,10S,13S,15S,16R)-16-acetyloxy-5-methyl-7-oxo-17-oxapentacyclo[14.2.1.01,13.02,10.05,9]nonadecan-15-yl] acetate

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Identifiers

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