(Q110172929)

English

(5,6,9-Triacetyloxy-7,18-dihydroxy-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 C₄₀H₄₆O₁₃

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Statements

instance of

group of stereoisomers

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subclass of

chemical compound

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mass

734.293841532 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₄₀H₄₆O₁₃

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canonical SMILES

O=C(OC1(C)C(O)C2(OC(=O)C)C(OC(=O)C)C(C)CC2C34OC5(OC(C3C)C(O)(C(=C)C)C(O5)C4C1OC(=O)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

Identifiers

InChI

InChI=1S/C40H46O13/c1-20(2)37(46)31-22(4)38-28-19-21(3)30(47-23(5)41)39(28,49-25(7)43)35(45)36(8,52-34(44)26-15-11-9-12-16-26)32(48-24(6)42)29(38)33(37)51-40(50-31,53-38)27-17-13-10-14-18-27/h9-18,21-22,28-33,35,45-46H,1,19H2,2-8H3

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InChIKey

CMGMKUFDWUSAQX-UHFFFAOYSA-N

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2 references

2 January 2023

inferred from InChIKey

matched by identifier from

InChIKey

CMGMKUFDWUSAQX-UHFFFAOYSA-N

(Q110172929)

(5,6,9-Triacetyloxy-7,18-dihydroxy-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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