(Q105260876)

English

[(1S,6R,8R,11R,12S,15S,16R,19S,21S)-19-methoxy-1,7,7,11,16,20,20-heptamethyl-8-pentacyclo[13.8.0.03,12.06,11.016,21]tricos-3-enyl] acetate

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

serratane triterpenoid

0 references

mass

498.407295588 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

3alpha-Methoxy-21beta-acetoxy-8,14-seco-8,27-cyclogammacer-14-ene

1 reference

based on heuristic

inferred from InChI

[(1S,6R,8S,11R,12S,15S,16R,19S,21R)-19-methoxy-1,7,7,11,16,20,20-heptamethyl-8-pentacyclo[13.8.0.03,12.06,11.016,21]tricos-3-enyl] acetate

1 reference

based on heuristic

inferred from InChI

chemical formula

C₃₃H₅₄O₃

0 references

canonical SMILES

O=C(OC1CCC2(C)C3C(=CCC2C1(C)C)CC4(C)CCC5C(C)(C)C(OC)CCC5(C)C4CC3)C

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isomeric SMILES

CO[C@H]1CC[C@@]2(C)[C@H](CC[C@@]3(C)CC4=CC[C@H]5C(C)(C)[C@H](OC(C)=O)CC[C@]5(C)[C@H]4CC[C@@H]32)C1(C)C

0 references

found in taxon

Picea obovata

1 reference

stated in

Extractive substances of the bark of Picea obovata

Identifiers

InChI

InChI=1S/C33H54O3/c1-21(34)36-28-16-18-32(7)23-11-13-26-31(6,20-22(23)10-12-24(32)30(28,4)5)17-14-25-29(2,3)27(35-9)15-19-33(25,26)8/h10,23-28H,11-20H2,1-9H3/t23-,24-,25+,26-,27-,28+,31-,32+,33-/m0/s1

0 references

InChIKey

SUFSTXHWPMIZLJ-DDVYBKRYSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

SUFSTXHWPMIZLJ-DDVYBKRYSA-N

(Q105260876)

[(1S,6R,8R,11R,12S,15S,16R,19S,21S)-19-methoxy-1,7,7,11,16,20,20-heptamethyl-8-pentacyclo[13.8.0.03,12.06,11.016,21]tricos-3-enyl] acetate

Statements

Identifiers

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