(Q105022976)

English

Caesalmin B

chemical compound

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Statements

type of chemical entity

0 references

(18S,19R)-13-hydroxy-14,14,18-trimethyl-9-oxo-4,10-dioxapentacyclo[9.7.1.0³,⁷.0⁸,¹⁹.0¹³,¹⁸]nonadeca-3(7),5-dien-17-yl acetate

1 reference

based on heuristic

inferred from SMILES

[(1S,8R,11R,13R,18S,19S)-13-hydroxy-14,14,18-trimethyl-9-oxo-4,10-dioxapentacyclo[9.7.1.03,7.08,19.013,18]nonadeca-3(7),5-dien-17-yl] acetate

1 reference

based on heuristic

inferred from SMILES

(13-Hydroxy-14,14,18-trimethyl-9-oxo-4,10-dioxapentacyclo[9.7.1.03,7.08,19.013,18]nonadeca-3(7),5-dien-17-yl) acetate

1 reference

based on heuristic

inferred from SMILES

388.188588616 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₂H₂₈O₆

0 references

canonical SMILES

O=C(OC1CCC(C)(C)C2(O)CC3OC(=O)C4C=5C=COC5CC(C34)C12C)C

0 references

isomeric SMILES

CC(=O)O[C@H]1CCC(C)(C)[C@]2(O)C[C@@H]3OC(=O)[C@@H]4c5ccoc5C[C@@H]([C@@H]34)[C@@]12C

0 references

Caesalpinia crista

4 references

Cassane- and norcassane-type diterpenes from Caesalpinia crista of Indonesia and their antimalarial activity against the growth of Plasmodium falciparum

Cassane- and norcassane-type diterpenes of Caesalpinia crista from Myanmar

Cassane- and Norcassane-Type Diterpenes from Caesalpinia crista of Indonesia and Their Antimalarial Activity against the Growth of Plasmodium falciparum

Novel norcassane-type diterpene from the seed kernels of Caesalpinia crista

Caesalpinia minax

2 references

Furanoditerpenoid lactones from the seeds of Caesalpinia minax Hance

Molecular structures and antiviral activities of naturally occurring and modified cassane furanoditerpenoids and friedelane triterpenoids from Caesalpinia minax

Guilandina bonduc

1 reference

Cassane furanoditerpenoids from the seed kernels of Caesalpinia bonduc from Thailand

Identifiers

InChI=1S/C22H28O6/c1-11(23)27-16-5-7-20(2,3)22(25)10-15-18-13(21(16,22)4)9-14-12(6-8-26-14)17(18)19(24)28-15/h6,8,13,15-18,25H,5,7,9-10H2,1-4H3/t13-,15-,16-,17+,18-,21-,22+/m0/s1

0 references

GXBMHMVGIRRPBD-XTVZKPICSA-N

0 references

2 references

17 September 2022

based on heuristic

inferred from InChIKey

matched by identifier from

GXBMHMVGIRRPBD-XTVZKPICSA-N

UniChem compound ID

1 reference

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