(Q105194319)

English

[(1R,3S,4S,5Z,8S,9S)-9-acetyloxy-6-(acetyloxymethyl)-3-[(2S)-1-acetyloxypropan-2-yl]-4,8-dihydroxy-10-methylidenecyclodec-5-en-1-yl] (2R,3S)-3-acetyloxy-2-methylbutanoate

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

[9-Acetyloxy-6-(acetyloxymethyl)-3-(1-acetyloxypropan-2-yl)-4,8-dihydroxy-10-methylidenecyclodec-5-en-1-yl] 3-acetyloxy-2-methylbutanoate

1 reference

based on heuristic

inferred from SMILES

mass

570.267626784 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

[(1R,3R,4S,5Z,8R,9R)-9-acetyloxy-6-(acetyloxymethyl)-3-[(2S)-1-acetyloxypropan-2-yl]-4,8-dihydroxy-10-methylidenecyclodec-5-en-1-yl] (2R,3S)-3-acetyloxy-2-methylbutanoate

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₈H₄₂O₁₂

0 references

canonical SMILES

O=C(OCC1=CC(O)C(CC(OC(=O)C(C)C(OC(=O)C)C)C(=C)C(OC(=O)C)C(O)C1)C(C)COC(=O)C)C

0 references

isomeric SMILES

C=C1[C@H](OC(C)=O)[C@@H](O)C/C(COC(C)=O)=C/[C@@H](O)[C@H]([C@H](C)COC(C)=O)C[C@H]1OC(=O)[C@H](C)[C@H](C)OC(C)=O

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found in taxon

Salvia chinensis

1 reference

stated in

New germacrane sesquiterpenes from Salvia chinensis

Identifiers

InChI

InChI=1S/C28H42O12/c1-14(12-36-18(5)29)23-11-26(40-28(35)15(2)17(4)38-20(7)31)16(3)27(39-21(8)32)25(34)10-22(9-24(23)33)13-37-19(6)30/h9,14-15,17,23-27,33-34H,3,10-13H2,1-2,4-8H3/b22-9-/t14-,15-,17+,23+,24-,25+,26-,27+/m1/s1

0 references

InChIKey

OMFZIXVNRKLPFK-ZCAUCVLZSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

OMFZIXVNRKLPFK-ZCAUCVLZSA-N

(Q105194319)

[(1R,3S,4S,5Z,8S,9S)-9-acetyloxy-6-(acetyloxymethyl)-3-[(2S)-1-acetyloxypropan-2-yl]-4,8-dihydroxy-10-methylidenecyclodec-5-en-1-yl] (2R,3S)-3-acetyloxy-2-methylbutanoate

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Identifiers

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