(Q105017482)

English

[(1R,2S,11S,14S,15R,18S,20R)-6-acetyloxy-1,8,11,15,19,19-hexamethyl-10-oxapentacyclo[12.8.0.02,11.04,9.015,20]docosa-4(9),5,7-trien-18-yl] acetate

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

(6-Acetyloxy-1,8,11,15,19,19-hexamethyl-10-oxapentacyclo[12.8.0.02,11.04,9.015,20]docosa-4(9),5,7-trien-18-yl) acetate

1 reference

based on heuristic

inferred from SMILES

[(1S,11R,20R)-6-acetyloxy-1,8,11,15,19,19-hexamethyl-10-oxapentacyclo[12.8.0.02,11.04,9.015,20]docosa-4(9),5,7-trien-18-yl] acetate

1 reference

based on heuristic

inferred from SMILES

mass

496.318874508 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

Epitaondiol diacetate

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

[(1R,2R,11R,14R,15R,18S,20R)-6-acetyloxy-1,8,11,15,19,19-hexamethyl-10-oxapentacyclo[12.8.0.02,11.04,9.015,20]docosa-4(9),5,7-trien-18-yl] acetate

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

Isoepitaondiol diacetate

1 reference

based on heuristic

inferred from InChI

[(1S,2S,11S,14S,15R,18S,20R)-6-acetyloxy-1,8,11,15,19,19-hexamethyl-10-oxapentacyclo[12.8.0.02,11.04,9.015,20]docosa-4(9),5,7-trien-18-yl] acetate

1 reference

based on heuristic

inferred from InChI

chemical formula

C₃₁H₄₄O₅

0 references

canonical SMILES

O=C(OC=1C=C(C=2OC3(C)CCC4C(C)(CCC5C(C)(C)C(OC(=O)C)CCC54C)C3CC2C1)C)C

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isomeric SMILES

CC(=O)Oc1cc(C)c2c(c1)C[C@@H]1[C@](C)(CC[C@@H]3[C@@]1(C)CC[C@H]1C(C)(C)[C@@H](OC(C)=O)CC[C@]31C)O2

0 references

found in taxon

Stypopodium flabelliforme

1 reference

stated in

Anti-proliferative activity of meroditerpenoids isolated from the brown alga Stypopodium flabelliforme against several cancer cell lines.

Identifiers

InChI

InChI=1S/C31H44O5/c1-18-15-22(34-19(2)32)16-21-17-25-30(7)12-9-23-28(4,5)26(35-20(3)33)11-13-29(23,6)24(30)10-14-31(25,8)36-27(18)21/h15-16,23-26H,9-14,17H2,1-8H3/t23-,24-,25-,26-,29-,30+,31-/m0/s1

0 references

InChIKey

GSOQDUALHDCWOK-DBQMAJNHSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

GSOQDUALHDCWOK-DBQMAJNHSA-N

(Q105017482)

[(1R,2S,11S,14S,15R,18S,20R)-6-acetyloxy-1,8,11,15,19,19-hexamethyl-10-oxapentacyclo[12.8.0.02,11.04,9.015,20]docosa-4(9),5,7-trien-18-yl] acetate

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Identifiers

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