(Q105338047)

English

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

0 references

1 reference

734.293841532 dalton

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based on heuristic

inferred from SMILES

chemical formula

C₄₀H₄₆O₁₃

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canonical SMILES

O=C(OC1(C)C(OC(=O)C)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

1 reference

stated in

Daphnane-type diterpenoids from Trigonostemon howii

Trigonostemon longifolius

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stated in

Daphnane-type diterpenoids from Trigonostemon howii

Trigonostemon heteranthus

1 reference

stated in

Daphnane-type diterpenoids from Trigonostemon howii

Identifiers

InChI

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

XOZGQMROUGZWII-UHFFFAOYSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

XOZGQMROUGZWII-UHFFFAOYSA-N

(Q105338047)

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