(Q104958970)

English

(3R,5R)-5-[(2R)-2-[(1S,3R,6R,8R,11S,12S,15R,16R)-6-methoxy-7,7,12,16-tetramethyl-15-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl]propyl]-3-methyloxolan-2-one

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

5-[2-(6-Methoxy-7,7,12,16-tetramethyl-15-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl)propyl]-3-methyloxolan-2-one

1 reference

based on heuristic

inferred from SMILES

mass

470.37599546 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₁H₅₀O₃

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canonical SMILES

O=C1OC(CC1C)CC(C)C2CCC3(C)C4CCC5C(C)(C)C(OC)CCC65CC46CCC23C

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isomeric SMILES

CO[C@@H]1CC[C@]23C[C@]24CC[C@]2(C)[C@@H]([C@H](C)C[C@@H]5C[C@@H](C)C(=O)O5)CC[C@@]2(C)[C@@H]4CC[C@H]3C1(C)C

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found in taxon

Abies pinsapo

1 reference

stated in

Terpenoids and sterols from the wood of Abies pinsapo

Identifiers

InChI

InChI=1S/C31H50O3/c1-19(16-21-17-20(2)26(32)34-21)22-10-12-29(6)24-9-8-23-27(3,4)25(33-7)11-13-30(23)18-31(24,30)15-14-28(22,29)5/h19-25H,8-18H2,1-7H3/t19-,20-,21-,22-,23+,24+,25-,28-,29+,30-,31+/m1/s1

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InChIKey

CHKLCIOPOJVAIZ-UEBAJCCYSA-N

0 references

1 reference

17 September 2022

inferred from InChIKey

(Q104958970)

(3R,5R)-5-[(2R)-2-[(1S,3R,6R,8R,11S,12S,15R,16R)-6-methoxy-7,7,12,16-tetramethyl-15-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl]propyl]-3-methyloxolan-2-one

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Identifiers

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