(Q104908707)

English

(2S,8S,9R,10R,13R,14S,16R,17R)-2,16-dihydroxy-4,4,9,13,14-pentamethyl-17-[(2R,5S)-2,5,6-trihydroxy-6-methyl-3-oxoheptan-2-yl]-2,7,8,10,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthrene-3,11-dione

chemical compound

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instance of

type of chemical entity

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subclass of

2,16-dihydroxy-4,4,9,13,14-pentamethyl-17-(2,5,6-trihydroxy-6-methyl-3-oxoheptan-2-yl)-2,7,8,10,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthrene-3,11-dione

1 reference

based on heuristic

inferred from SMILES

mass

534.319268432 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

(2S,8S,9R,10R,13R,14S,16R,17R)-2,16-dihydroxy-4,4,9,13,14-pentamethyl-17-[(2R,5R)-2,5,6-trihydroxy-6-methyl-3-oxoheptan-2-yl]-2,7,8,10,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthrene-3,11-dione

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

(2R,8R,9S,10S,13R,14R,16R,17S)-2,16-dihydroxy-4,4,9,13,14-pentamethyl-17-[(2S,5R)-2,5,6-trihydroxy-6-methyl-3-oxoheptan-2-yl]-2,7,8,10,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthrene-3,11-dione

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

(2S,8R,9R,10R,13S,14R,16S,17S)-2,16-dihydroxy-4,4,9,13,14-pentamethyl-17-[(2S,5S)-2,5,6-trihydroxy-6-methyl-3-oxoheptan-2-yl]-2,7,8,10,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthrene-3,11-dione

1 reference

based on heuristic

inferred from InChI

chemical formula

C₃₀H₄₆O₈

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canonical SMILES

O=C(CC(O)C(O)(C)C)C(O)(C)C1C(O)CC2(C)C3CC=C4C(CC(O)C(=O)C4(C)C)C3(C(=O)CC12C)C

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isomeric SMILES

CC1(C)C(=O)[C@@H](O)C[C@@H]2C1=CC[C@H]1[C@]3(C)C[C@@H](O)[C@H]([C@@](C)(O)C(=O)C[C@H](O)C(C)(C)O)[C@@]3(C)CC(=O)[C@]12C

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found in taxon

Bryonia cretica

1 reference

stated in

Cucurbitacins from Bryonia cretica

Trichosanthes cucumeroides

1 reference

stated in

Lipid-Lowering Activities of Cucurbitacins Isolated from Trichosanthes cucumeroides and Their Synthetic Derivatives

Identifiers

InChI

InChI=1S/C30H46O8/c1-25(2)15-9-10-19-27(5)13-18(32)23(30(8,38)21(34)12-20(33)26(3,4)37)28(27,6)14-22(35)29(19,7)16(15)11-17(31)24(25)36/h9,16-20,23,31-33,37-38H,10-14H2,1-8H3/t16-,17+,18-,19+,20+,23+,27+,28-,29+,30+/m1/s1

0 references

InChIKey

ABNDMUIXCBUBLO-JIRYMGTKSA-N

0 references

CAS Registry Number

751-96-2

1 reference

stated in

CAS (formerly Chemical Abstracts Service)

25 January 2022

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

ABNDMUIXCBUBLO-JIRYMGTKSA-N

1 reference

(Q104908707)

(2S,8S,9R,10R,13R,14S,16R,17R)-2,16-dihydroxy-4,4,9,13,14-pentamethyl-17-[(2R,5S)-2,5,6-trihydroxy-6-methyl-3-oxoheptan-2-yl]-2,7,8,10,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthrene-3,11-dione

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