(Q104981619)

English

(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) benzoate

group of stereoisomers with the chemical formula C₃₇H₄₄O₁₄

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Statements

instance of

group of stereoisomers

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subclass of

jatrophane diterpenoid

1 reference

inferred from

jatrophane diterpenoid

mass

712.2731060880002 dalton

1 reference

based on heuristic

inferred from InChI

chemical formula

C₃₇H₄₄O₁₄

0 references

canonical SMILES

O=C(OC1C(=O)C(C=CC(C(=O)C2(OC(=O)C)CC(OC(=O)C)(C)C(OC(=O)C)C2C(OC(=O)C)C(=C)C1OC(=O)C)C)(C)C)C=3C=CC=CC3

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Identifiers

InChI

InChI=1S/C37H44O14/c1-19-16-17-35(8,9)32(44)30(49-34(45)26-14-12-11-13-15-26)29(47-22(4)39)20(2)28(46-21(3)38)27-33(48-23(5)40)36(10,50-24(6)41)18-37(27,31(19)43)51-25(7)42/h11-17,19,27-30,33H,2,18H2,1,3-10H3

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InChIKey

DIRGAGXDBYDWQB-UHFFFAOYSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

DIRGAGXDBYDWQB-UHFFFAOYSA-N

(Q104981619)

(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) benzoate

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