(Q104999442)

English

[(1S,3R,4R,6R,8S,9S,10R,11R,14R,15R,17R)-3,4,10,15-tetrahydroxy-5,5,10,15-tetramethyl-7-oxapentacyclo[12.2.1.01,11.04,9.06,8]heptadecan-17-yl] propanoate

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

3,4,10,15-tetrahydroxy-5,5,10,15-tetramethyl-7-oxapentacyclo[12.2.1.0¹,¹¹.0⁴,⁹.0⁶,⁸]heptadecan-17-yl propanoate

1 reference

based on heuristic

inferred from SMILES

mass

424.246103492 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₃H₃₆O₇

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canonical SMILES

O=C(OC1C2CCC3C(O)(C)C4C5OC5C(C)(C)C4(O)C(O)CC13CC2(O)C)CC

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isomeric SMILES

CCC(=O)O[C@@H]1[C@H]2CC[C@@H]3[C@]1(C[C@@H](O)[C@@]1(O)[C@@H]([C@@H]4O[C@@H]4C1(C)C)[C@]3(C)O)C[C@@]2(C)O

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found in taxon

Arichanna gaschkevitchii

1 reference

stated in

Accumulation of highly toxic ericaceous diterpenoids by the geometrid moth, Arichanna gaschkevitchii.

Identifiers

InChI

InChI=1S/C23H36O7/c1-6-14(25)29-17-11-7-8-12-21(5,27)16-15-18(30-15)19(2,3)23(16,28)13(24)9-22(12,17)10-20(11,4)26/h11-13,15-18,24,26-28H,6-10H2,1-5H3/t11-,12+,13-,15+,16+,17-,18+,20-,21-,22+,23-/m1/s1

0 references

InChIKey

FPWNQXCUDWQVAY-FTQQZRIVSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

FPWNQXCUDWQVAY-FTQQZRIVSA-N

(Q104999442)

[(1S,3R,4R,6R,8S,9S,10R,11R,14R,15R,17R)-3,4,10,15-tetrahydroxy-5,5,10,15-tetramethyl-7-oxapentacyclo[12.2.1.01,11.04,9.06,8]heptadecan-17-yl] propanoate

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Identifiers

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