(Q104667477)

English

[(1S,2S,5R,8S,9R,10R,11R,12R,13S,14S)-10,11-diacetyloxy-5-hydroxy-2,10-dimethyl-6-methylidene-13-propan-2-yl-15,16-dioxatetracyclo[6.6.1.12,5.09,14]hexadecan-12-yl] acetate

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

(10,11-Diacetyloxy-5-hydroxy-2,10-dimethyl-6-methylidene-13-propan-2-yl-15,16-dioxatetracyclo[6.6.1.12,5.09,14]hexadecan-12-yl) acetate

1 reference

based on heuristic

inferred from SMILES

mass

494.251582796 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₆H₃₈O₉

0 references

canonical SMILES

O=C(OC1C(OC(=O)C)C(OC(=O)C)(C)C2C3OC(C2C1C(C)C)C4(OC(O)(C(=C)C3)CC4)C)C

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isomeric SMILES

C=C1C[C@@H]2O[C@@H]([C@H]3[C@H](C(C)C)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@](C)(OC(C)=O)[C@@H]23)[C@]2(C)CC[C@@]1(O)O2

0 references

found in taxon

Eunicella cavolini

1 reference

stated in

A Novel Type of a Second Epoxy Bridge in Eunicellane Diterpenes: Isolation and Characterization of Massileunicellins A - C from the GorgonianEunicella cavolinii

Identifiers

InChI

InChI=1S/C26H38O9/c1-12(2)18-19-20(17-11-13(3)26(30)10-9-24(7,35-26)22(19)33-17)25(8,34-16(6)29)23(32-15(5)28)21(18)31-14(4)27/h12,17-23,30H,3,9-11H2,1-2,4-8H3/t17-,18-,19-,20-,21+,22-,23+,24-,25+,26+/m0/s1

0 references

InChIKey

SVFJJCFPWKHIMF-MBXFPHQXSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

SVFJJCFPWKHIMF-MBXFPHQXSA-N

(Q104667477)

[(1S,2S,5R,8S,9R,10R,11R,12R,13S,14S)-10,11-diacetyloxy-5-hydroxy-2,10-dimethyl-6-methylidene-13-propan-2-yl-15,16-dioxatetracyclo[6.6.1.12,5.09,14]hexadecan-12-yl] acetate

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Identifiers

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