(Q104921221)

English

[(1S,12S,13S,14S)-18,19-dimethoxy-13,14-dimethyl-20-oxo-3,6,8-trioxapentacyclo[9.9.1.01,16.04,21.05,9]henicosa-4(21),5(9),10,16,18-pentaen-12-yl] acetate

chemical compound

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type of chemical entity

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subclass of

(18,19-Dimethoxy-13,14-dimethyl-20-oxo-3,6,8-trioxapentacyclo[9.9.1.01,16.04,21.05,9]henicosa-4(21),5(9),10,16,18-pentaen-12-yl) acetate

1 reference

based on heuristic

inferred from SMILES

(12R,13S,14S)-18,19-dimethoxy-13,14-dimethyl-20-oxo-3,6,8-trioxapentacyclo[9.9.1.0¹,¹⁶.0⁴,²¹.0⁵,⁹]henicosa-4,9,11(21),16,18-pentaen-12-yl acetate

1 reference

based on heuristic

inferred from SMILES

mass

442.162767792 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

[(1R,12R,13R,14R)-18,19-dimethoxy-13,14-dimethyl-20-oxo-3,6,8-trioxapentacyclo[9.9.1.01,16.04,21.05,9]henicosa-4(21),5(9),10,16,18-pentaen-12-yl] acetate

2 references

based on heuristic

inferred from InChIKey

1 reference

C₂₄H₂₆O₈

0 references

canonical SMILES

O=C(OC1C2=CC=3OCOC3C=4OCC5(C(=O)C(OC)=C(OC)C=C5CC(C)C1C)C42)C

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isomeric SMILES

COC1=C(OC)C(=O)[C@]23COc4c5c(cc(c42)[C@@H](OC(C)=O)[C@@H](C)[C@@H](C)CC3=C1)OCO5

0 references

found in taxon

Kadsura heteroclita

1 reference

stated in

Compounds from Kadsura heteroclita and related anti-HIV activity

Identifiers

InChI

InChI=1S/C24H26O8/c1-11-6-14-7-16(27-4)21(28-5)23(26)24(14)9-29-22-18(24)15(8-17-20(22)31-10-30-17)19(12(11)2)32-13(3)25/h7-8,11-12,19H,6,9-10H2,1-5H3/t11-,12-,19-,24-/m0/s1

0 references

InChIKey

AYMKCFZZJXCHQJ-OCNIZCTASA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

AYMKCFZZJXCHQJ-OCNIZCTASA-N

(Q104921221)

[(1S,12S,13S,14S)-18,19-dimethoxy-13,14-dimethyl-20-oxo-3,6,8-trioxapentacyclo[9.9.1.01,16.04,21.05,9]henicosa-4(21),5(9),10,16,18-pentaen-12-yl] acetate

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