(Q104935002)

English

(4',7,8-triacetyloxy-7'-methoxy-2',3,5'a,6,6',9,9'b-heptamethyl-8',10-dioxospiro[11-oxatricyclo[7.2.1.01,6]dodec-3-ene-2,3'-2,3a,4,5,9,9a-hexahydro-1H-cyclopenta[a]naphthalene]-5-yl) benzoate

group of stereoisomers with the chemical formula C₄₄H₅₄O₁₂

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Statements

instance of

group of stereoisomers

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subclass of

chemical compound

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mass

774.361527168 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₄₄H₅₄O₁₂

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canonical SMILES

O=C(OC1C=C(C)C2(C(C)CC3(C)C4CC(=O)C(OC)=C(C)C4(C)CC(OC(=O)C)C23)C56OC(=O)C(C)(C5)C(OC(=O)C)C(OC(=O)C)C16C)C=7C=CC=CC7

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found in taxon

Ruptiliocarpon caracolito

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stated in

Spirocaracolitone isolated from a new genus and species, Ruptiliocarpon caracolito. The first CD spiro-triterpenoid

Identifiers

InChI

InChI=1S/C44H54O12/c1-22-17-32(55-37(49)28-15-13-12-14-16-28)42(10)36(54-27(6)47)35(53-26(5)46)41(9)21-43(42,56-38(41)50)44(22)23(2)19-40(8)31-18-29(48)33(51-11)24(3)39(31,7)20-30(34(40)44)52-25(4)45/h12-17,23,30-32,34-36H,18-21H2,1-11H3

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InChIKey

BFXFFTRLJXJGTQ-UHFFFAOYSA-N

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2 references

2 January 2023

inferred from InChIKey

matched by identifier from

InChIKey

BFXFFTRLJXJGTQ-UHFFFAOYSA-N

(Q104935002)

(4',7,8-triacetyloxy-7'-methoxy-2',3,5'a,6,6',9,9'b-heptamethyl-8',10-dioxospiro[11-oxatricyclo[7.2.1.01,6]dodec-3-ene-2,3'-2,3a,4,5,9,9a-hexahydro-1H-cyclopenta[a]naphthalene]-5-yl) benzoate

Statements

Identifiers

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