(Q105385819)

English

[(1S,3R,6S,8R,11S,12S,15R,16R)-15-[(2S,5R)-5-acetyloxy-6-methylhept-6-en-2-yl]-7,7,12,16-tetramethyl-6-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl] acetate

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

[15-(5-Acetyloxy-6-methylhept-6-en-2-yl)-7,7,12,16-tetramethyl-6-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl] acetate

1 reference

based on heuristic

inferred from SMILES

mass

526.402210208 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₄H₅₄O₄

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canonical SMILES

O=C(OC(C(=C)C)CCC(C)C1CCC2(C)C3CCC4C(C)(C)C(OC(=O)C)CCC54CC35CCC12C)C

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isomeric SMILES

C=C(C)[C@@H](CC[C@H](C)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](OC(C)=O)CC[C@@]45C[C@@]35CC[C@]12C)OC(C)=O

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found in taxon

Euphorbia oxyphylla

1 reference

stated in

Triterpenes from Euphorbia broteri

Identifiers

InChI

InChI=1S/C34H54O4/c1-21(2)26(37-23(4)35)11-10-22(3)25-14-16-32(9)28-13-12-27-30(6,7)29(38-24(5)36)15-17-33(27)20-34(28,33)19-18-31(25,32)8/h22,25-29H,1,10-20H2,2-9H3/t22-,25+,26+,27-,28-,29-,31+,32-,33+,34-/m0/s1

0 references

InChIKey

ZXVNYYJTAHVDGQ-ZCDCUWSASA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

ZXVNYYJTAHVDGQ-ZCDCUWSASA-N

(Q105385819)

[(1S,3R,6S,8R,11S,12S,15R,16R)-15-[(2S,5R)-5-acetyloxy-6-methylhept-6-en-2-yl]-7,7,12,16-tetramethyl-6-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl] acetate

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