(Q110173373)

English

(5,9-Diacetyloxy-7-benzoyloxy-6,8-dihydroxy-4,8,13,17-tetramethyl-15-prop-1-en-2-yl-12,14,18-trioxapentacyclo[11.4.1.01,10.02,6.011,15]octadecan-16-yl) benzoate

group of stereoisomers with the chemical formula C₄₀H₄₆O₁₃

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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(OC1C(C)C23OC4(OC(C3C(OC(=O)C)C(O)(C)C(OC(=O)C=5C=CC=CC5)C6(O)C(OC(=O)C)C(C)CC62)C1(O4)C(=C)C)C)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/C40H46O13/c1-20(2)39-30(49-33(43)25-15-11-9-12-16-25)22(4)40-27-19-21(3)29(47-23(5)41)38(27,46)35(50-34(44)26-17-13-10-14-18-26)36(7,45)31(48-24(6)42)28(40)32(39)51-37(8,52-39)53-40/h9-18,21-22,27-32,35,45-46H,1,19H2,2-8H3

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InChIKey

YRHRFRAGMYDVMA-UHFFFAOYSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

YRHRFRAGMYDVMA-UHFFFAOYSA-N

(Q110173373)

(5,9-Diacetyloxy-7-benzoyloxy-6,8-dihydroxy-4,8,13,17-tetramethyl-15-prop-1-en-2-yl-12,14,18-trioxapentacyclo[11.4.1.01,10.02,6.011,15]octadecan-16-yl) benzoate

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Identifiers

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