(Q76422750)

English

5-[(3S,5R,8R,9S,10S,11S,13R,14S,17R)-3,11,14-trihydroxy-10,13-dimethyl-12-oxo-2,3,4,5,6,7,8,9,11,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]pyran-2-one

chemical compound

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instance of

type of chemical entity

0 references

1 reference

416.219888744 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₄H₃₂O₆

0 references

canonical SMILES

O=C1OC=C(C=C1)C2CCC3(O)C4CCC5CC(O)CCC5(C)C4C(O)C(=O)C23C

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isomeric SMILES

C[C@]12CC[C@@H](C[C@H]1CC[C@@H]3[C@@H]2[C@@H](C(=O)[C@]4([C@@]3(CC[C@@H]4C5=COC(=O)C=C5)O)C)O)O

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found in taxon

Bufo

1 reference

stated in

Studies on toad venom (2): Examination of the drying processing method

Bufo bankorensis

1 reference

stated in

Occurrence of marinobufotoxin and telocinobufotoxin homologs in the skin of Bufo bankorensis BORBOUR.

Bufotes viridis

2 references

stated in

Arenobufagin and gamabufotalin from the venom of the Central Asian toadBufo viridis

stated in

Arenobufagin and gamabufotalin from the venom of the Central Asian green toadBufo viridis. Introduction, structural?functional features

Rhinella arenarum

1 reference

stated in

Biosynthesis of bufadienolides in toads. VI. Experiments with [1,2-3H]cholesterol, [21-14C]coprostanol, and 5 beta-[21-14 C]pregnanolone in the toad Bufo arenarum

Common toad

2 references

stated in

Quality evaluation of traditional Chinese drug toad venom from different origins through a simultaneous determination of bufogenins and indole alkaloids by HPLC.

stated in

Studies on cytotoxic constituents from the skin of the toad Bufo bufo gargarizans

Asiatic toad

2 references

stated in

Quality evaluation of traditional Chinese drug toad venom from different origins through a simultaneous determination of bufogenins and indole alkaloids by HPLC.

stated in

Studies on cytotoxic constituents from the skin of the toad Bufo bufo gargarizans

Cane Toad (Rhinella marina)

1 reference

stated in

Isolation and characterization of novel endogenous digitalis-like factors in the ovary of the giant toad, Bufo marinus.

Identifiers

InChI

InChI=1S/C24H32O6/c1-22-9-7-15(25)11-14(22)4-5-17-19(22)20(27)21(28)23(2)16(8-10-24(17,23)29)13-3-6-18(26)30-12-13/h3,6,12,14-17,19-20,25,27,29H,4-5,7-11H2,1-2H3/t14-,15+,16-,17-,19-,20+,22+,23+,24+/m1/s1

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InChIKey

JGDCRWYOMWSTFC-AZGSIFHYSA-N

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CAS Registry Number

464-74-4

1 reference

stated in

CAS (formerly Chemical Abstracts Service)

retrieved

25 January 2022

PubChem CID

12305198

1 reference

matched by identifier from

InChIKey

JGDCRWYOMWSTFC-AZGSIFHYSA-N

ChEBI ID

197067

mapping relation type

exact match

1 reference

matched by identifier from

International Chemical Identifier

InChI

InChI=1S/C24H32O6/c1-22-9-7-15(25)11-14(22)4-5-17-19(22)20(27)21(28)23(2)16(8-10-24(17,23)29)13-3-6-18(26)30-12-13/h3,6,12,14-17,19-20,25,27,29H,4-5,7-11H2,1-2H3/t14-,15+,16-,17-,19-,20+,22+,23+,24+/m1/s1

1 reference

1 reference

matched by identifier from

InChIKey

JGDCRWYOMWSTFC-AZGSIFHYSA-N

UNII

27R42QLM25

1 reference

matched by identifier from

InChIKey

JGDCRWYOMWSTFC-AZGSIFHYSA-N

Probes And Drugs ID

PD100353

0 references

(Q76422750)

5-[(3S,5R,8R,9S,10S,11S,13R,14S,17R)-3,11,14-trihydroxy-10,13-dimethyl-12-oxo-2,3,4,5,6,7,8,9,11,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]pyran-2-one

Statements

Identifiers

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