(Q110187559)

English

1-[(1S,2S,5R,7S)-1-[2-[(1S,2S,3S,6S,9S)-9-hydroxy-2,3,8,8-tetramethyl-7,12-dioxatricyclo[7.2.1.01,6]dodecan-2-yl]ethyl]-2,7-dimethyl-6-oxabicyclo[3.1.1]heptan-7-yl]-4-methylpentan-3-one

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

1-[1-[2-(9-Hydroxy-2,3,8,8-tetramethyl-7,12-dioxatricyclo[7.2.1.01,6]dodecan-2-yl)ethyl]-2,7-dimethyl-6-oxabicyclo[3.1.1]heptan-7-yl]-4-methylpentan-3-one

1 reference

based on heuristic

inferred from SMILES

mass

490.3658247 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₀H₅₀O₅

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canonical SMILES

O=C(CCC1(C)C2OC1(CCC3(C)C(C)CCC4OC(C)(C)C5(O)OC43CC5)C(C)CC2)C(C)C

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isomeric SMILES

CC(C)C(=O)CC[C@@]1(C)[C@H]2CC[C@H](C)[C@]1(CC[C@@]1(C)[C@@H](C)CC[C@@H]3OC(C)(C)[C@]4(O)CC[C@@]31O4)O2

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found in taxon

Axinella weltneri

1 reference

stated in

Sodwanones G, H, and I, new cytotoxic triterpenes from a marine sponge

Identifiers

InChI

InChI=1S/C30H50O5/c1-19(2)22(31)13-14-27(8)23-11-10-21(4)28(27,34-23)16-15-26(7)20(3)9-12-24-29(26)17-18-30(32,35-29)25(5,6)33-24/h19-21,23-24,32H,9-18H2,1-8H3/t20-,21-,23+,24-,26-,27-,28-,29+,30-/m0/s1

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InChIKey

UBCFXVARUDRMFD-KZHGJSJGSA-N

0 references

1 reference

17 September 2022

inferred from InChIKey

1 reference

(Q110187559)

1-[(1S,2S,5R,7S)-1-[2-[(1S,2S,3S,6S,9S)-9-hydroxy-2,3,8,8-tetramethyl-7,12-dioxatricyclo[7.2.1.01,6]dodecan-2-yl]ethyl]-2,7-dimethyl-6-oxabicyclo[3.1.1]heptan-7-yl]-4-methylpentan-3-one

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Identifiers

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