(Q105031054)

English

(Z)-4-[(1R,2R,7R,16S,18S)-11-hydroxy-10-[(2R)-2-hydroxy-3-methylbut-3-enyl]-16-methoxy-6,6,7,20,20-pentamethyl-13,17-dioxo-3,8,19-trioxahexacyclo[14.4.1.02,14.02,18.04,12.05,9]henicosa-4(12),5(9),10,14-tetraen-18-yl]-2-methylbut-2-enoic acid

chemical compound

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instance of

type of chemical entity

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subclass of

4-[11-hydroxy-10-(2-hydroxy-3-methylbut-3-en-1-yl)-16-methoxy-6,6,7,20,20-pentamethyl-13,17-dioxo-3,8,19-trioxahexacyclo[14.4.1.0²,¹⁴.0²,¹⁸.0⁴,¹².0⁵,⁹]henicosa-4(12),5(9),10,14-tetraen-18-yl]-2-methylbut-2-enoic acid

1 reference

1 reference

608.26214748 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

(Z)-4-[(1R,2R,7S,16S,18S)-11-hydroxy-10-[(2R)-2-hydroxy-3-methylbut-3-enyl]-16-methoxy-6,6,7,20,20-pentamethyl-13,17-dioxo-3,8,19-trioxahexacyclo[14.4.1.02,14.02,18.04,12.05,9]henicosa-4(12),5(9),10,14-tetraen-18-yl]-2-methylbut-2-enoic acid

1 reference

based on heuristic

inferred from InChI

(Z)-4-[(1R,2R,7R,16S,18S)-11-hydroxy-10-[(2S)-2-hydroxy-3-methylbut-3-enyl]-16-methoxy-6,6,7,20,20-pentamethyl-13,17-dioxo-3,8,19-trioxahexacyclo[14.4.1.02,14.02,18.04,12.05,9]henicosa-4(12),5(9),10,14-tetraen-18-yl]-2-methylbut-2-enoic acid

1 reference

based on heuristic

inferred from InChI

chemical formula

C₃₄H₄₀O₁₀

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canonical SMILES

O=C(O)C(=CCC12OC(C)(C)C3CC(OC)(C=C4C(=O)C=5C(O)=C(C=6OC(C)C(C6C5OC431)(C)C)CC(O)C(=C)C)C2=O)C

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isomeric SMILES

C=C(C)[C@H](O)Cc1c(O)c2c(c3c1O[C@H](C)C3(C)C)O[C@@]13C(=C[C@@]4(OC)C[C@@H]1C(C)(C)O[C@]3(C/C=C(/C)C(=O)O)C4=O)C2=O

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found in taxon

Garcinia acuminata

1 reference

stated in

Xanthone and sesquiterpene derivatives from the fruits of Garcinia scortechinii

Garcinia scortechinii

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

Garcinia ovalifolia

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

Identifiers

InChI

InChI=1S/C34H40O10/c1-15(2)20(35)12-18-24(36)22-25(37)19-13-32(41-9)14-21-31(7,8)44-33(29(32)40,11-10-16(3)28(38)39)34(19,21)43-27(22)23-26(18)42-17(4)30(23,5)6/h10,13,17,20-21,35-36H,1,11-12,14H2,2-9H3,(H,38,39)/b16-10-/t17-,20-,21-,32-,33-,34+/m1/s1

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InChIKey

HNSYUDVBSKCUEM-IBDIFVNVSA-N

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1 reference

17 September 2022

inferred from InChIKey

(Q105031054)

(Z)-4-[(1R,2R,7R,16S,18S)-11-hydroxy-10-[(2R)-2-hydroxy-3-methylbut-3-enyl]-16-methoxy-6,6,7,20,20-pentamethyl-13,17-dioxo-3,8,19-trioxahexacyclo[14.4.1.02,14.02,18.04,12.05,9]henicosa-4(12),5(9),10,14-tetraen-18-yl]-2-methylbut-2-enoic acid

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