(Q105275709)

English

(E)-4-[(1R,2R,7S,14S,15S,16S,18S)-11-hydroxy-15,16-dimethoxy-6,6,7,20,20-pentamethyl-10-(3-methylbut-2-enyl)-13,17-dioxo-3,8,19-trioxahexacyclo[14.4.1.02,14.02,18.04,12.05,9]henicosa-4(12),5(9),10-trien-18-yl]-2-methylbut-2-enal

chemical compound

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instance of

type of chemical entity

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subclass of

4-[11-Hydroxy-15,16-dimethoxy-6,6,7,20,20-pentamethyl-10-(3-methylbut-2-enyl)-13,17-dioxo-3,8,19-trioxahexacyclo[14.4.1.02,14.02,18.04,12.05,9]henicosa-4(12),5(9),10-trien-18-yl]-2-methylbut-2-enal

1 reference

based on heuristic

inferred from SMILES

mass

608.298532988 dalton

1 reference

2 references

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₃₅H₄₄O₉

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canonical SMILES

O=CC(=CCC12OC(C)(C)C3CC(OC)(C1=O)C(OC)C4C(=O)C=5C(O)=C(C=6OC(C)C(C6C5OC432)(C)C)CC=C(C)C)C

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isomeric SMILES

CO[C@H]1[C@@H]2C(=O)c3c(O)c(CC=C(C)C)c4c(c3O[C@]23[C@@H]2C[C@@]1(OC)C(=O)[C@@]3(C/C=C(\C)C=O)OC2(C)C)C(C)(C)[C@H](C)O4

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found in taxon

Garcinia scortechinii

2 references

stated in

Xanthone and sesquiterpene derivatives from the fruits of Garcinia scortechinii

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/C35H44O9/c1-17(2)11-12-20-25(37)22-26(38)23-29(40-9)33(41-10)15-21-32(7,8)44-34(30(33)39,14-13-18(3)16-36)35(21,23)43-28(22)24-27(20)42-19(4)31(24,5)6/h11,13,16,19,21,23,29,37H,12,14-15H2,1-10H3/b18-13+/t19-,21+,23-,29-,33-,34+,35+/m0/s1

0 references

InChIKey

UMRUGVMKZFBRLT-DOQBQFDMSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

UMRUGVMKZFBRLT-DOQBQFDMSA-N

(Q105275709)

(E)-4-[(1R,2R,7S,14S,15S,16S,18S)-11-hydroxy-15,16-dimethoxy-6,6,7,20,20-pentamethyl-10-(3-methylbut-2-enyl)-13,17-dioxo-3,8,19-trioxahexacyclo[14.4.1.02,14.02,18.04,12.05,9]henicosa-4(12),5(9),10-trien-18-yl]-2-methylbut-2-enal

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Identifiers

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