(Q105141258)

English

[(1S,5Z,9S,10S,11S,12S,14R,16R)-6,14-dimethyl-2-methylidene-13-oxo-9-propan-2-yl-15,17-dioxatricyclo[8.7.0.011,16]heptadec-5-en-12-yl] (Z)-2-methylbut-2-enoate

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

(6,14-Dimethyl-2-methylidene-13-oxo-9-propan-2-yl-15,17-dioxatricyclo[8.7.0.011,16]heptadec-5-en-12-yl) 2-methylbut-2-enoate

1 reference

based on heuristic

inferred from SMILES

(5Z)-9-isopropyl-6,14-dimethyl-2-methylidene-13-oxo-15,17-dioxatricyclo[8.7.0.0¹¹,¹⁶]heptadec-5-en-12-yl (2E)-2-methylbut-2-enoate

1 reference

based on heuristic

inferred from SMILES

mass

430.271924316 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

[(1S,5E,9S,10R,11R,12S,14S,16S)-6,14-dimethyl-2-methylidene-13-oxo-9-propan-2-yl-15,17-dioxatricyclo[8.7.0.011,16]heptadec-5-en-12-yl] (Z)-2-methylbut-2-enoate

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

[(1R,5E,9R,10S,11R,12R,14R,16R)-6,14-dimethyl-2-methylidene-13-oxo-9-propan-2-yl-15,17-dioxatricyclo[8.7.0.011,16]heptadec-5-en-12-yl] (Z)-2-methylbut-2-enoate

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₆H₃₈O₅

0 references

canonical SMILES

O=C(OC1C(=O)C(OC2OC3C(=C)CCC=C(C)CCC(C(C)C)C3C21)C)C(=CC)C

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isomeric SMILES

C=C1CC/C=C(/C)CC[C@@H](C(C)C)[C@@H]2[C@@H]1O[C@@H]1O[C@H](C)C(=O)[C@@H](OC(=O)/C(C)=C\C)[C@H]21

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found in taxon

Pittosporum tobira

1 reference

stated in

Sesquiterpene glycosides and other terpene constituents from the flowers of Pittosporum tobira

Identifiers

InChI

InChI=1S/C26H38O5/c1-8-16(5)25(28)30-24-21-20-19(14(2)3)13-12-15(4)10-9-11-17(6)23(20)31-26(21)29-18(7)22(24)27/h8,10,14,18-21,23-24,26H,6,9,11-13H2,1-5,7H3/b15-10-,16-8-/t18-,19+,20+,21+,23-,24+,26+/m1/s1

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InChIKey

KHODMBPNDVATHO-CIZGBWBGSA-N

0 references

1 reference

17 September 2022

inferred from InChIKey

(Q105141258)

[(1S,5Z,9S,10S,11S,12S,14R,16R)-6,14-dimethyl-2-methylidene-13-oxo-9-propan-2-yl-15,17-dioxatricyclo[8.7.0.011,16]heptadec-5-en-12-yl] (Z)-2-methylbut-2-enoate

Statements

Identifiers

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