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Details

Stereochemistry ABSOLUTE
Molecular Formula C30H46O7
Molecular Weight 518.682
Optical Activity UNSPECIFIED
Defined Stereocenters 10 / 10
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of CUCURBITACIN F

SMILES

[H][C@@]1([C@H](O)C[C@@]2(C)[C@]3([H])CC=C4[C@@]([H])(C[C@H](O)[C@@H](O)C4(C)C)[C@]3(C)C(=O)C[C@]12C)[C@@](C)(O)C(=O)\C=C\C(C)(C)O

InChI

InChIKey=AOHIGMQGPFTKQX-QZPKXHNASA-N
InChI=1S/C30H46O7/c1-25(2,36)12-11-21(33)30(8,37)23-19(32)14-27(5)20-10-9-16-17(13-18(31)24(35)26(16,3)4)29(20,7)22(34)15-28(23,27)6/h9,11-12,17-20,23-24,31-32,35-37H,10,13-15H2,1-8H3/b12-11+/t17-,18+,19-,20+,23+,24-,27+,28-,29+,30+/m1/s1

HIDE SMILES / InChI

Molecular Formula C30H46O7
Molecular Weight 518.682
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 9 / 10
E/Z Centers 1
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 09:14:33 GMT 2023
Edited
by admin
on Sat Dec 16 09:14:33 GMT 2023
Record UNII
X8WI6P1NLN
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
CUCURBITACIN F
Common Name English
19-NORLANOSTA-5,23-DIENE-11,22-DIONE, 2,3,16,20,25-PENTAHYDROXY-9-METHYL-, (2.BETA.,3.ALPHA.,9.BETA.,10.ALPHA.,16.ALPHA.,23E)-
Systematic Name English
NSC-251680
Code English
CUCURBITACINE F
Common Name English
Code System Code Type Description
FDA UNII
X8WI6P1NLN
Created by admin on Sat Dec 16 09:14:33 GMT 2023 , Edited by admin on Sat Dec 16 09:14:33 GMT 2023
PRIMARY
PUBCHEM
5281320
Created by admin on Sat Dec 16 09:14:33 GMT 2023 , Edited by admin on Sat Dec 16 09:14:33 GMT 2023
PRIMARY
CAS
5939-57-1
Created by admin on Sat Dec 16 09:14:33 GMT 2023 , Edited by admin on Sat Dec 16 09:14:33 GMT 2023
PRIMARY
EPA CompTox
DTXSID301317374
Created by admin on Sat Dec 16 09:14:33 GMT 2023 , Edited by admin on Sat Dec 16 09:14:33 GMT 2023
PRIMARY
NSC
251680
Created by admin on Sat Dec 16 09:14:33 GMT 2023 , Edited by admin on Sat Dec 16 09:14:33 GMT 2023
PRIMARY
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ACTIVE MOIETY