(Q105137083)

English

[(1S,2R,3S,4R,7S,8Z,12S,13S,14S,16R,18S)-2,14-diacetyloxy-3-hydroxy-4,9,13,18-tetramethyl-5-oxo-6,17-dioxatetracyclo[11.5.0.03,7.016,18]octadec-8-en-12-yl] butanoate

chemical compound

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instance of

type of chemical entity

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subclass of

(2,14-Diacetyloxy-3-hydroxy-4,9,13,18-tetramethyl-5-oxo-6,17-dioxatetracyclo[11.5.0.03,7.016,18]octadec-8-en-12-yl) butanoate

1 reference

based on heuristic

inferred from SMILES

mass

536.26214748 dalton

1 reference

1 reference

C₂₈H₄₀O₁₀

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canonical SMILES

O=C(OC1CC2OC2(C)C3C(OC(=O)C)C4(O)C(OC(=O)C4C)C=C(C)CCC(OC(=O)CCC)C13C)C

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isomeric SMILES

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

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found in taxon

Sea pansy

1 reference

stated in

Isolation and structure elucidation of feeding deterrent diterpenoids from the sea pansy, Renilla reniformis

Identifiers

InChI

InChI=1S/C28H40O10/c1-8-9-22(31)36-18-11-10-14(2)12-21-28(33,15(3)25(32)37-21)24(35-17(5)30)23-26(18,6)19(34-16(4)29)13-20-27(23,7)38-20/h12,15,18-21,23-24,33H,8-11,13H2,1-7H3/b14-12-/t15-,18-,19-,20+,21-,23+,24+,26-,27+,28-/m0/s1

0 references

InChIKey

JYKZNLVAPYOOQZ-PALROWDUSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

JYKZNLVAPYOOQZ-PALROWDUSA-N

(Q105137083)

[(1S,2R,3S,4R,7S,8Z,12S,13S,14S,16R,18S)-2,14-diacetyloxy-3-hydroxy-4,9,13,18-tetramethyl-5-oxo-6,17-dioxatetracyclo[11.5.0.03,7.016,18]octadec-8-en-12-yl] butanoate

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Identifiers

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