(Q105312598)

English

[(1S,2S,4S,6S,7S,8S,9R,11R)-7-acetyloxy-1,6-dimethyl-8-[(Z)-2-methylbut-2-enoyl]oxy-9-prop-1-en-2-yl-5,12-dioxatricyclo[9.1.0.04,6]dodecan-2-yl] (Z)-2-methylbut-2-enoate

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

[7-Acetyloxy-1,6-dimethyl-8-(2-methylbut-2-enoyloxy)-9-prop-1-en-2-yl-5,12-dioxatricyclo[9.1.0.04,6]dodecan-2-yl] 2-methylbut-2-enoate

1 reference

based on heuristic

inferred from SMILES

mass

490.256668176 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

[(1S,2S,4R,6R,7S,8S,9R,11S)-7-acetyloxy-1,6-dimethyl-8-[(Z)-2-methylbut-2-enoyl]oxy-9-prop-1-en-2-yl-5,12-dioxatricyclo[9.1.0.04,6]dodecan-2-yl] (Z)-2-methylbut-2-enoate

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₂₇H₃₈O₈

0 references

canonical SMILES

O=C(OC1C(OC(=O)C)C2(OC2CC(OC(=O)C(=CC)C)C3(OC3CC1C(=C)C)C)C)C(=CC)C

0 references

isomeric SMILES

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

0 references

found in taxon

Kleinia fulgens

1 reference

stated in

Sesquiterpenes from Kleinia species

Identifiers

InChI

InChI=1S/C27H38O8/c1-10-15(5)24(29)32-19-13-21-27(9,35-21)23(31-17(7)28)22(33-25(30)16(6)11-2)18(14(3)4)12-20-26(19,8)34-20/h10-11,18-23H,3,12-13H2,1-2,4-9H3/b15-10-,16-11-/t18-,19+,20-,21+,22+,23+,26-,27+/m1/s1

0 references

InChIKey

WTJWCHPBMJTWPD-XSKCAINRSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

WTJWCHPBMJTWPD-XSKCAINRSA-N

(Q105312598)

[(1S,2S,4S,6S,7S,8S,9R,11R)-7-acetyloxy-1,6-dimethyl-8-[(Z)-2-methylbut-2-enoyl]oxy-9-prop-1-en-2-yl-5,12-dioxatricyclo[9.1.0.04,6]dodecan-2-yl] (Z)-2-methylbut-2-enoate

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Identifiers

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