(Q104916027)

English

[(1R,2R,4S,5S,6S,7S,8R,9S,10S,11R,13S,15R,17R)-6,7,8,9-tetrahydroxy-8-(hydroxymethyl)-4,17-dimethyl-13-phenyl-15-prop-1-en-2-yl-12,14,18-trioxapentacyclo[11.4.1.01,10.02,6.011,15]octadecan-5-yl] benzoate

chemical compound

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instance of

type of chemical entity

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subclass of

[6,7,8,9-Tetrahydroxy-8-(hydroxymethyl)-4,17-dimethyl-13-phenyl-15-prop-1-en-2-yl-12,14,18-trioxapentacyclo[11.4.1.01,10.02,6.011,15]octadecan-5-yl] benzoate

1 reference

based on heuristic

inferred from SMILES

mass

608.26214748 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₄H₄₀O₁₀

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canonical SMILES

O=C(OC1C(C)CC2C1(O)C(O)C(O)(CO)C(O)C3C4OC5(OC4(C(=C)C)CC(C)C32O5)C=6C=CC=CC6)C=7C=CC=CC7

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isomeric SMILES

C=C(C)[C@]12C[C@@H](C)[C@@]34O[C@](c5ccccc5)(O[C@@H]1[C@@H]3[C@H](O)[C@](O)(CO)[C@@H](O)[C@]1(O)[C@@H](OC(=O)c3ccccc3)[C@@H](C)C[C@H]14)O2

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found in taxon

Daphne genkwa

1 reference

stated in

Novel diterpenoids with potent inhibitory activity against endothelium cell HMEC and cytotoxic activities from a well-known TCM plant Daphne genkwa.

Identifiers

InChI

InChI=1S/C34H40O10/c1-18(2)31-16-20(4)33-23-15-19(3)26(41-28(37)21-11-7-5-8-12-21)32(23,40)29(38)30(39,17-35)25(36)24(33)27(31)42-34(43-31,44-33)22-13-9-6-10-14-22/h5-14,19-20,23-27,29,35-36,38-40H,1,15-17H2,2-4H3/t19-,20+,23+,24-,25-,26-,27+,29+,30+,31+,32+,33-,34+/m0/s1

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InChIKey

AOXOPFGLBGVVAA-HMJGELIXSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

AOXOPFGLBGVVAA-HMJGELIXSA-N

1 reference

(Q104916027)

[(1R,2R,4S,5S,6S,7S,8R,9S,10S,11R,13S,15R,17R)-6,7,8,9-tetrahydroxy-8-(hydroxymethyl)-4,17-dimethyl-13-phenyl-15-prop-1-en-2-yl-12,14,18-trioxapentacyclo[11.4.1.01,10.02,6.011,15]octadecan-5-yl] benzoate

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Identifiers

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