(Q105134681)

English

[(1R,4aS,7Z,9R,11aR)-1-acetyloxy-4-[(2R)-1,2-diacetyloxy-4-methylpent-3-enyl]-7-methyl-11-methylidene-4a,5,6,9,10,11a-hexahydro-1H-cyclonona[c]pyran-9-yl] acetate

group of stereoisomers with the chemical formula C₂₈H₃₈O₉

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instance of

group of stereoisomers

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518.2515827959999 dalton

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based on heuristic

inferred from isomeric SMILES

chemical formula

C₂₈H₃₈O₉

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canonical SMILES

O=C(OC1OC=C(C(OC(=O)C)C(OC(=O)C)C=C(C)C)C2CCC(=CC(OC(=O)C)CC(=C)C12)C)C

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isomeric SMILES

C=C1C[C@@H](OC(C)=O)/C=C(/C)CC[C@@H]2C(C(OC(C)=O)[C@@H](C=C(C)C)OC(C)=O)=CO[C@H](OC(C)=O)[C@@H]12

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Identifiers

InChI

InChI=1S/C28H38O9/c1-15(2)11-25(35-19(6)30)27(36-20(7)31)24-14-33-28(37-21(8)32)26-17(4)13-22(34-18(5)29)12-16(3)9-10-23(24)26/h11-12,14,22-23,25-28H,4,9-10,13H2,1-3,5-8H3/b16-12-/t22-,23+,25+,26-,27?,28+/m0/s1

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InChIKey

JTACQGNVQPQYQN-KBPXYVMXSA-N

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2 references

26 December 2021

matched by identifier from

InChIKey

JTACQGNVQPQYQN-KBPXYVMXSA-N

1 reference

(Q105134681)

[(1R,4aS,7Z,9R,11aR)-1-acetyloxy-4-[(2R)-1,2-diacetyloxy-4-methylpent-3-enyl]-7-methyl-11-methylidene-4a,5,6,9,10,11a-hexahydro-1H-cyclonona[c]pyran-9-yl] acetate

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