(Q105127771)

English

[(1R,2R,4S,9R,11R,14R,15R,18S,20R)-1,2,8,8,15,19,19-heptamethyl-5-methylidene-18-pentacyclo[12.8.0.02,11.04,9.015,20]docosanyl] acetate

chemical compound

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instance of

type of chemical entity

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subclass of

(1,2,8,8,15,19,19-Heptamethyl-5-methylidene-18-pentacyclo[12.8.0.02,11.04,9.015,20]docosanyl) acetate

1 reference

based on heuristic

inferred from SMILES

mass

468.396730904 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₂H₅₂O₂

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canonical SMILES

O=C(OC1CCC2(C)C(CCC3(C)C2CCC4CC5C(C(=C)CCC5(C)C)CC43C)C1(C)C)C

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isomeric SMILES

C=C1CCC(C)(C)[C@@H]2C[C@H]3CC[C@@H]4[C@@]5(C)CC[C@H](OC(C)=O)C(C)(C)[C@@H]5CC[C@@]4(C)[C@]3(C)C[C@H]12

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found in taxon

Ixeris chinensis

1 reference

stated in

Composite Constituents: Thirty-Nine Triterpenoids Including Two Novel Compounds from Ixeris chinensis.

Identifiers

InChI

InChI=1S/C32H52O2/c1-20-12-15-28(3,4)24-18-22-10-11-26-30(7)16-14-27(34-21(2)33)29(5,6)25(30)13-17-31(26,8)32(22,9)19-23(20)24/h22-27H,1,10-19H2,2-9H3/t22-,23-,24-,25+,26-,27+,30+,31-,32-/m1/s1

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InChIKey

JGXPMSPITBIBHM-ACOAYAOSSA-N

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2 references

26 December 2021

matched by identifier from

InChIKey

JGXPMSPITBIBHM-ACOAYAOSSA-N

1 reference

(Q105127771)

[(1R,2R,4S,9R,11R,14R,15R,18S,20R)-1,2,8,8,15,19,19-heptamethyl-5-methylidene-18-pentacyclo[12.8.0.02,11.04,9.015,20]docosanyl] acetate

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Identifiers

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