(Q105198807)

English

(1S,2S,3aS,5S,6E,10S,11R,13S,13aR)-1,3,3a,5,8,10,11,12,13,13a-Decahydro-1,2,3a,11,13-pentaacetoxy-10-(isobutyryloxy)-2,5,8,8-tetramethyl-12-methylene-4H-cyclopentacyclododecene-4,9(2H)-dione

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

(1,2,3a,11,13-pentaacetyloxy-2,5,8,8-tetramethyl-12-methylidene-4,9-dioxo-3,5,10,11,13,13a-hexahydro-1H-cyclopenta[12]annulen-10-yl) 2-methylpropanoate

1 reference

based on heuristic

inferred from SMILES

mass

678.288756152 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

[(1R,2R,3aR,5S,6E,10S,11S,13R,13aS)-1,2,3a,11,13-pentaacetyloxy-2,5,8,8-tetramethyl-12-methylidene-4,9-dioxo-3,5,10,11,13,13a-hexahydro-1H-cyclopenta[12]annulen-10-yl] 2-methylpropanoate

1 reference

based on heuristic

inferred from InChI

(1R,2R,3aR,5R,6E,10R,11S,13R,13aS)-1,3,3a,5,8,10,11,12,13,13a-Decahydro-1,2,3a,11,13-pentaacetoxy-10-(isobutyryloxy)-2,5,8,8-tetramethyl-12-methylene-4H-cyclopentacyclododecene-4,9(2H)-dione

1 reference

based on heuristic

inferred from InChI

chemical formula

C₃₄H₄₆O₁₄

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canonical SMILES

O=C(OC1C(=C)C(OC(=O)C)C2C(OC(=O)C)C(OC(=O)C)(C)CC2(OC(=O)C)C(=O)C(C=CC(C(=O)C1OC(=O)C(C)C)(C)C)C)C

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isomeric SMILES

C=C1[C@@H](OC(C)=O)[C@@H]2[C@H](OC(C)=O)[C@@](C)(OC(C)=O)C[C@@]2(OC(C)=O)C(=O)[C@@H](C)/C=C/C(C)(C)C(=O)[C@@H](OC(=O)C(C)C)[C@@H]1OC(C)=O

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found in taxon

Euphorbia paralias

1 reference

stated in

Diterpenes from Euphorbia paralias

Euphorbia semiperfoliata

1 reference

stated in

Macrocyclic Diterpenoids fromEuphorbiasemiperfoliata

Identifiers

InChI

InChI=1S/C34H46O14/c1-16(2)31(42)46-27-26(44-20(6)36)18(4)25(43-19(5)35)24-30(45-21(7)37)33(12,47-22(8)38)15-34(24,48-23(9)39)28(40)17(3)13-14-32(10,11)29(27)41/h13-14,16-17,24-27,30H,4,15H2,1-3,5-12H3/b14-13+/t17-,24+,25+,26+,27-,30-,33-,34-/m0/s1

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InChIKey

OSDVNRJELRKKGM-JTRBJKQNSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

OSDVNRJELRKKGM-JTRBJKQNSA-N

1 reference

(Q105198807)

(1S,2S,3aS,5S,6E,10S,11R,13S,13aR)-1,3,3a,5,8,10,11,12,13,13a-Decahydro-1,2,3a,11,13-pentaacetoxy-10-(isobutyryloxy)-2,5,8,8-tetramethyl-12-methylene-4H-cyclopentacyclododecene-4,9(2H)-dione

Statements

Identifiers

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