(Q104954298)

English

(7R,9R,17S)-7-[(E)-3-carboxybut-2-enyl]-14-hydroxy-9-methoxy-5,5,16,16,17-pentamethyl-20-(3-methylbut-2-enyl)-12-oxo-2,6,18-trioxapentacyclo[11.7.0.03,11.04,8.015,19]icosa-1(20),3(11),4(8),13,15(19)-pentaene-7-carboxylic acid

chemical compound

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type of chemical entity

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1 reference

7-(3-Carboxybut-2-enyl)-14-hydroxy-9-methoxy-5,5,16,16,17-pentamethyl-20-(3-methylbut-2-enyl)-12-oxo-2,6,18-trioxapentacyclo[11.7.0.03,11.04,8.015,19]icosa-1(20),3(11),4(8),13,15(19)-pentaene-7-carboxylic acid

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(O)C(=CCC1(OC(C=2C=3OC4=C(C(=O)C3CC(OC)C21)C(O)=C5C(OC(C)C5(C)C)=C4CC=C(C)C)(C)C)C(=O)O)C

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isomeric SMILES

CO[C@@H]1Cc2c(oc3c(CC=C(C)C)c4c(c(O)c3c2=O)C(C)(C)[C@H](C)O4)C2=C1[C@](C/C=C(\C)C(=O)O)(C(=O)O)OC2(C)C

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found in taxon

Garcinia scortechinii

1 reference

stated in

Xanthone and sesquiterpene derivatives from the fruits of Garcinia scortechinii

Garcinia acuminata

1 reference

stated in

Xanthone and sesquiterpene derivatives from the fruits of Garcinia scortechinii

Garcinia dulcis

1 reference

stated in

Xanthone and sesquiterpene derivatives from the fruits of Garcinia scortechinii

Garcinia ovalifolia

1 reference

stated in

Xanthone and sesquiterpene derivatives from the fruits of Garcinia scortechinii

Garcinia elliptica

1 reference

stated in

Xanthone and sesquiterpene derivatives from the fruits of Garcinia scortechinii

Identifiers

InChI

InChI=1S/C34H40O10/c1-15(2)10-11-18-27-21(26(36)24-28(18)42-17(4)32(24,5)6)25(35)19-14-20(41-9)22-23(29(19)43-27)33(7,8)44-34(22,31(39)40)13-12-16(3)30(37)38/h10,12,17,20,36H,11,13-14H2,1-9H3,(H,37,38)(H,39,40)/b16-12+/t17-,20+,34+/m0/s1

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InChIKey

CDEHIYLRKGRKGU-UCICCCPWSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

CDEHIYLRKGRKGU-UCICCCPWSA-N

(Q104954298)

(7R,9R,17S)-7-[(E)-3-carboxybut-2-enyl]-14-hydroxy-9-methoxy-5,5,16,16,17-pentamethyl-20-(3-methylbut-2-enyl)-12-oxo-2,6,18-trioxapentacyclo[11.7.0.03,11.04,8.015,19]icosa-1(20),3(11),4(8),13,15(19)-pentaene-7-carboxylic acid

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