(Q105287519)

English

[(2S,3S,4S)-2-[(3R,4aR,6aR,12bR)-3-(2-hydroxypropan-2-yl)-6a,12b-dimethyl-8,11-dioxo-1,2,3,4a,5,6-hexahydropyrano[3,2-a]xanthen-9-yl]-4-methylhexan-3-yl] acetate

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

[2-[3-(2-Hydroxypropan-2-yl)-6a,12b-dimethyl-8,11-dioxo-1,2,3,4a,5,6-hexahydropyrano[3,2-a]xanthen-9-yl]-4-methylhexan-3-yl] acetate

1 reference

based on heuristic

inferred from SMILES

mass

514.293053684 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

Anhydroisocochlioquinone A

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₃₀H₄₂O₇

0 references

canonical SMILES

O=C1C=C(C(=O)C=2OC3(C(=CC12)C4(C)CCC(OC4CC3)C(O)(C)C)C)C(C)C(OC(=O)C)C(C)CC

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isomeric SMILES

CC[C@H](C)[C@H](OC(C)=O)[C@@H](C)C1=CC(=O)C2=C(O[C@]3(C)CC[C@H]4O[C@@H](C(C)(C)O)CC[C@]4(C)C3=C2)C1=O

0 references

found in taxon

Bipolaris oryzae

1 reference

stated in

Anhydrocochlioquinone A, a new antitumor compound from Bipolaris oryzae

Identifiers

InChI

InChI=1S/C30H42O7/c1-9-16(2)26(35-18(4)31)17(3)19-14-21(32)20-15-22-29(7)12-10-23(28(5,6)34)36-24(29)11-13-30(22,8)37-27(20)25(19)33/h14-17,23-24,26,34H,9-13H2,1-8H3/t16-,17-,23+,24+,26-,29+,30+/m0/s1

0 references

InChIKey

VJUNTOKUTJFPFE-AORQLYIESA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

VJUNTOKUTJFPFE-AORQLYIESA-N

(Q105287519)

[(2S,3S,4S)-2-[(3R,4aR,6aR,12bR)-3-(2-hydroxypropan-2-yl)-6a,12b-dimethyl-8,11-dioxo-1,2,3,4a,5,6-hexahydropyrano[3,2-a]xanthen-9-yl]-4-methylhexan-3-yl] acetate

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