(Q105180300)

English

[1,13-Diacetyloxy-3a,5-dihydroxy-2,5,8,8-tetramethyl-10,11-bis(2-methylbut-2-enoyloxy)-12-methylidene-4-oxo-1,2,3,9,10,11,13,13a-octahydrocyclopenta[12]annulen-9-yl] pyridine-3-carboxylate

group of stereoisomers with the chemical formula C₄₀H₅₁NO₁₃

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instance of

group of stereoisomers

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subclass of

jatrophane diterpenoid

1 reference

inferred from

jatrophane diterpenoid

1 reference

753.3360406920003 dalton

1 reference

based on heuristic

inferred from InChI

chemical formula

C₄₀H₅₁NO₁₃

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canonical SMILES

O=C(OC1C(OC(=O)C(=CC)C)C(OC(=O)C(=CC)C)C(=C)C(OC(=O)C)C2C(OC(=O)C)C(C)CC2(O)C(=O)C(O)(C=CC1(C)C)C)C=3C=NC=CC3

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Identifiers

InChI

InChI=1S/C40H51NO13/c1-12-21(3)34(44)52-31-24(6)30(51-26(8)43)28-29(50-25(7)42)23(5)19-40(28,49)37(47)39(11,48)17-16-38(9,10)33(32(31)53-35(45)22(4)13-2)54-36(46)27-15-14-18-41-20-27/h12-18,20,23,28-33,48-49H,6,19H2,1-5,7-11H3

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InChIKey

NJSSYEQVBPQYFC-UHFFFAOYSA-N

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PubChem CID

162955081

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

NJSSYEQVBPQYFC-UHFFFAOYSA-N

(Q105180300)

[1,13-Diacetyloxy-3a,5-dihydroxy-2,5,8,8-tetramethyl-10,11-bis(2-methylbut-2-enoyloxy)-12-methylidene-4-oxo-1,2,3,9,10,11,13,13a-octahydrocyclopenta[12]annulen-9-yl] pyridine-3-carboxylate

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