(Q105112939)

English

[(1S,2S,3S,4S,7S,8Z,12S,13S,17S)-2-acetyloxy-3,17-dihydroxy-4,9,13,17-tetramethyl-5,16-dioxo-6-oxatricyclo[11.4.0.03,7]heptadeca-8,14-dien-12-yl] butanoate

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

2-(acetyloxy)-3,17-dihydroxy-4,9,13,17-tetramethyl-5,16-dioxo-6-oxatricyclo[11.4.0.0³,⁷]heptadeca-8,14-dien-12-yl butanoate

1 reference

based on heuristic

inferred from SMILES

mass

492.235932732 dalton

1 reference

1 reference

C₂₆H₃₆O₉

0 references

canonical SMILES

O=C(OC1C2C(O)(C(=O)C=CC2(C)C(OC(=O)CCC)CCC(=CC3OC(=O)C(C)C31O)C)C)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@](C)(O)C(=O)C=C[C@]12C

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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/C26H36O9/c1-7-8-20(29)34-18-10-9-14(2)13-19-26(32,15(3)23(30)35-19)22(33-16(4)27)21-24(18,5)12-11-17(28)25(21,6)31/h11-13,15,18-19,21-22,31-32H,7-10H2,1-6H3/b14-13-/t15-,18+,19+,21-,22+,24-,25-,26+/m1/s1

0 references

InChIKey

IHDDPBLOCSHWQL-BAOIHAIASA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

IHDDPBLOCSHWQL-BAOIHAIASA-N

(Q105112939)

[(1S,2S,3S,4S,7S,8Z,12S,13S,17S)-2-acetyloxy-3,17-dihydroxy-4,9,13,17-tetramethyl-5,16-dioxo-6-oxatricyclo[11.4.0.03,7]heptadeca-8,14-dien-12-yl] butanoate

Statements

Identifiers

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