(Q105131095)

English

(1S,4R,8S,10R)-4-(2-hydroxypropan-2-yl)-9,9-dimethyl-8-[(2S)-2-methylbutanoyl]-1,10-bis(3-methylbut-2-enyl)-3-oxatricyclo[6.3.1.02,6]dodec-2(6)-ene-7,12-dione

chemical compound

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instance of

type of chemical entity

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subclass of

4-(2-Hydroxypropan-2-yl)-9,9-dimethyl-8-(2-methylbutanoyl)-1,10-bis(3-methylbut-2-enyl)-3-oxatricyclo[6.3.1.02,6]dodec-2(6)-ene-7,12-dione

1 reference

1 reference

498.334524572 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₁H₄₆O₅

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canonical SMILES

O=C1C2=C(OC(C2)C(O)(C)C)C3(C(=O)C1(C(=O)C(C)CC)C(C)(C)C(CC=C(C)C)C3)CC=C(C)C

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isomeric SMILES

CC[C@H](C)C(=O)[C@]12C(=O)C3=C(O[C@@H](C(C)(C)O)C3)[C@](CC=C(C)C)(C[C@@H](CC=C(C)C)C1(C)C)C2=O

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found in taxon

Garcinia subelliptica

1 reference

stated in

Garsubellins, polyisoprenylated phloroglucinol derivatives from Garcinia subelliptica

Identifiers

InChI

InChI=1S/C31H46O5/c1-11-20(6)24(32)31-25(33)22-16-23(29(9,10)35)36-26(22)30(27(31)34,15-14-19(4)5)17-21(28(31,7)8)13-12-18(2)3/h12,14,20-21,23,35H,11,13,15-17H2,1-10H3/t20-,21+,23+,30-,31+/m0/s1

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InChIKey

JLTYOSMJDLPOFE-IVCKNKHGSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

JLTYOSMJDLPOFE-IVCKNKHGSA-N

(Q105131095)

(1S,4R,8S,10R)-4-(2-hydroxypropan-2-yl)-9,9-dimethyl-8-[(2S)-2-methylbutanoyl]-1,10-bis(3-methylbut-2-enyl)-3-oxatricyclo[6.3.1.02,6]dodec-2(6)-ene-7,12-dione

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Identifiers

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