(Q104399355)

English

[(1S,2R,3R,4R,6S,8S,9R,10S,11S,13S,15R)-2,8-diacetyloxy-3,6,15-trihydroxy-5,5,9-trimethyl-14-methylidene-11-tetracyclo[11.2.1.01,10.04,9]hexadecanyl] acetate

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

(2,8-Diacetyloxy-3,6,15-trihydroxy-5,5,9-trimethyl-14-methylidene-11-tetracyclo[11.2.1.01,10.04,9]hexadecanyl) acetate

1 reference

based on heuristic

inferred from SMILES

mass

494.251582796 dalton

1 reference

2 references

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₂₆H₃₈O₉

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canonical SMILES

O=C(OC1CC2C(=C)C(O)C3(C2)C(OC(=O)C)C(O)C4C(C)(C)C(O)CC(OC(=O)C)C4(C)C13)C

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isomeric SMILES

C=C1[C@@H]2C[C@H](OC(C)=O)[C@@H]3[C@@](C2)([C@@H]1O)[C@@H](OC(C)=O)[C@H](O)[C@@H]1C(C)(C)[C@@H](O)C[C@H](OC(C)=O)[C@@]31C

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found in taxon

Identifiers

InChI

InChI=1S/C26H38O9/c1-11-15-8-16(33-12(2)27)20-25(7)18(34-13(3)28)9-17(30)24(5,6)21(25)19(31)23(35-14(4)29)26(20,10-15)22(11)32/h15-23,30-32H,1,8-10H2,2-7H3/t15-,16+,17+,18+,19-,20+,21-,22-,23+,25+,26+/m1/s1

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InChIKey

WNWJAUVVIRZDLV-LBFLOJCHSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

WNWJAUVVIRZDLV-LBFLOJCHSA-N

1 reference

(Q104399355)

[(1S,2R,3R,4R,6S,8S,9R,10S,11S,13S,15R)-2,8-diacetyloxy-3,6,15-trihydroxy-5,5,9-trimethyl-14-methylidene-11-tetracyclo[11.2.1.01,10.04,9]hexadecanyl] acetate

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