(Q104916624)

English

methyl (1R,2S,3S,8S,14E,18S,21S,22S,23E,27S,28R)-2,3,27-trihydroxy-2,6,11,15,24,28-hexamethyl-9,16,19-trioxo-18-propan-2-yl-31-oxatetracyclo[26.2.1.05,22.08,21]hentriaconta-5,10,14,23-tetraene-21-carboxylate

chemical compound

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type of chemical entity

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subclass of

Methyl 2,3,27-trihydroxy-2,6,11,15,24,28-hexamethyl-9,16,19-trioxo-18-propan-2-yl-31-oxatetracyclo[26.2.1.05,22.08,21]hentriaconta-5,10,14,23-tetraene-21-carboxylate

1 reference

based on heuristic

inferred from SMILES

mass

696.4237335 dalton

1 reference

1 reference

methyl (1R,2S,3S,8S,10Z,14Z,18S,21S,22S,23E,27S,28S)-2,3,27-trihydroxy-2,6,11,15,24,28-hexamethyl-9,16,19-trioxo-18-propan-2-yl-31-oxatetracyclo[26.2.1.05,22.08,21]hentriaconta-5,10,14,23-tetraene-21-carboxylate

1 reference

1 reference

methyl (1R,2S,3S,8S,10Z,14Z,18S,21S,22S,23E,27S,28R)-2,3,27-trihydroxy-2,6,11,15,24,28-hexamethyl-9,16,19-trioxo-18-propan-2-yl-31-oxatetracyclo[26.2.1.05,22.08,21]hentriaconta-5,10,14,23-tetraene-21-carboxylate

1 reference

based on heuristic

inferred from InChI

methyl (1R,2S,3S,8R,10E,14Z,18R,21S,22R,23Z,27S,28S)-2,3,27-trihydroxy-2,6,11,15,24,28-hexamethyl-9,16,19-trioxo-18-propan-2-yl-31-oxatetracyclo[26.2.1.05,22.08,21]hentriaconta-5,10,14,23-tetraene-21-carboxylate

1 reference

based on heuristic

inferred from InChI

chemical formula

C₄₁H₆₀O₉

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canonical SMILES

O=C(OC)C12CC(=O)C(CC(=O)C(=CCCC(=CC(=O)C2CC(=C3CC(O)C(O)(C)C4OC(C)(CC4)C(O)CCC(=CC31)C)C)C)C)C(C)C

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isomeric SMILES

COC(=O)[C@]12CC(=O)[C@H](C(C)C)CC(=O)/C(C)=C/CCC(C)=CC(=O)[C@H]1CC(C)=C1C[C@H](O)[C@](C)(O)[C@H]3CC[C@@](C)(O3)[C@@H](O)CC/C(C)=C/[C@@H]12

0 references

found in taxon

Sarcophyton glaucum

1 reference

stated in

Cytotoxic biscembranes from the soft coral Sarcophyton glaucum

Identifiers

InChI

InChI=1S/C41H60O9/c1-23(2)28-20-32(42)26(5)12-10-11-24(3)18-33(43)31-19-27(6)29-21-36(46)40(8,48)37-15-16-39(7,50-37)35(45)14-13-25(4)17-30(29)41(31,22-34(28)44)38(47)49-9/h12,17-18,23,28,30-31,35-37,45-46,48H,10-11,13-16,19-22H2,1-9H3/b24-18?,25-17+,26-12+/t28-,30-,31+,35-,36-,37+,39+,40-,41-/m0/s1

0 references

InChIKey

APYCNDHUMQUETQ-WQLBAALSSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

APYCNDHUMQUETQ-WQLBAALSSA-N

(Q104916624)

methyl (1R,2S,3S,8S,14E,18S,21S,22S,23E,27S,28R)-2,3,27-trihydroxy-2,6,11,15,24,28-hexamethyl-9,16,19-trioxo-18-propan-2-yl-31-oxatetracyclo[26.2.1.05,22.08,21]hentriaconta-5,10,14,23-tetraene-21-carboxylate

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