(Q110173141)

English

(5,7-Diacetyloxy-6,9,18-trihydroxy-4,8,16-trimethyl-13-phenyl-18-prop-1-en-2-yl-12,14,17-trioxapentacyclo[11.3.1.111,15.01,10.02,6]octadecan-8-yl) benzoate

group of stereoisomers with the chemical formula C₃₈H₄₄O₁₂

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Statements

instance of

group of stereoisomers

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subclass of

chemical compound

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mass

692.283276848 dalton

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based on heuristic

inferred from SMILES

chemical formula

C₃₈H₄₄O₁₂

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canonical SMILES

O=C(OC1(C)C(O)C2C3OC4(OC(C(C)C2(O4)C5CC(C)C(OC(=O)C)C5(O)C1OC(=O)C)C3(O)C(=C)C)C=6C=CC=CC6)C=7C=CC=CC7

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found in taxon

Trigonostemon howii

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stated in

Daphnane-type diterpenoids from Trigonostemon howii

Trigonostemon longifolius

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stated in

Daphnane-type diterpenoids from Trigonostemon howii

Trigonostemon heteranthus

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stated in

Daphnane-type diterpenoids from Trigonostemon howii

Identifiers

InChI

InChI=1S/C38H44O12/c1-19(2)35(43)30-21(4)37-26-18-20(3)29(45-22(5)39)36(26,44)33(46-23(6)40)34(7,49-32(42)24-14-10-8-11-15-24)28(41)27(37)31(35)48-38(47-30,50-37)25-16-12-9-13-17-25/h8-17,20-21,26-31,33,41,43-44H,1,18H2,2-7H3

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InChIKey

DBZRNVHEUFWTLZ-UHFFFAOYSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

DBZRNVHEUFWTLZ-UHFFFAOYSA-N

(Q110173141)

(5,7-Diacetyloxy-6,9,18-trihydroxy-4,8,16-trimethyl-13-phenyl-18-prop-1-en-2-yl-12,14,17-trioxapentacyclo[11.3.1.111,15.01,10.02,6]octadecan-8-yl) benzoate

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Identifiers

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