(Q105279050)

English

(1R,3aS,4Z,8S,8aR,9S,12aS,13R,13aS)-9,13-Diacetoxy-3a,6,7,8,8a,9,10,11,12,12a,13,13a-dodecahydro-13a-hydroxy-1,5,8a-trimethyl-12-methylene-8-(1-oxopropoxy)benzo[4,5]cyclodeca[1,2-b]furan-2(1H)-one

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

2,14-bis(acetyloxy)-3-hydroxy-4,9,13-trimethyl-17-methylidene-5-oxo-6-oxatricyclo[11.4.0.0³,⁷]heptadec-8-en-12-yl propanoate

1 reference

based on heuristic

inferred from SMILES

mass

506.251582796 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

[(1S,2S,3S,4R,7S,8Z,12S,13R,14S)-2,14-diacetyloxy-3-hydroxy-4,9,13-trimethyl-17-methylidene-5-oxo-6-oxatricyclo[11.4.0.03,7]heptadec-8-en-12-yl] propanoate

2 references

based on heuristic

inferred from InChIKey

1 reference

[(1R,2S,3R,4S,7R,8Z,12S,13S,14R)-2,14-diacetyloxy-3-hydroxy-4,9,13-trimethyl-17-methylidene-5-oxo-6-oxatricyclo[11.4.0.03,7]heptadec-8-en-12-yl] propanoate

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₇H₃₈O₉

0 references

canonical SMILES

O=C(OC1CCC(=C)C2C(OC(=O)C)C3(O)C(OC(=O)C3C)C=C(C)CCC(OC(=O)CC)C12C)C

0 references

isomeric SMILES

C=C1CC[C@H](OC(C)=O)[C@]2(C)[C@@H](OC(=O)CC)CC/C(C)=C\[C@@H]3OC(=O)[C@H](C)[C@@]3(O)[C@H](OC(C)=O)[C@@H]12

0 references

found in taxon

Junceella fragilis

1 reference

stated in

Frajunolides E-K, briarane diterpenes from Junceella fragilis

Identifiers

InChI

InChI=1S/C27H38O9/c1-8-22(30)35-20-11-9-14(2)13-21-27(32,16(4)25(31)36-21)24(34-18(6)29)23-15(3)10-12-19(26(20,23)7)33-17(5)28/h13,16,19-21,23-24,32H,3,8-12H2,1-2,4-7H3/b14-13-/t16-,19-,20-,21-,23+,24+,26+,27-/m0/s1

0 references

InChIKey

UTRRVFIPDVKXOZ-LJBIUDIWSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

UTRRVFIPDVKXOZ-LJBIUDIWSA-N

1 reference

(Q105279050)

(1R,3aS,4Z,8S,8aR,9S,12aS,13R,13aS)-9,13-Diacetoxy-3a,6,7,8,8a,9,10,11,12,12a,13,13a-dodecahydro-13a-hydroxy-1,5,8a-trimethyl-12-methylene-8-(1-oxopropoxy)benzo[4,5]cyclodeca[1,2-b]furan-2(1H)-one

Statements

Identifiers

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