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Details

Stereochemistry ABSOLUTE
Molecular Formula C28H30O13
Molecular Weight 574.53
Optical Activity UNSPECIFIED
Defined Stereocenters 10 / 10
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3'-O-DEMETHYLETOPOSIDE

SMILES

[H][C@]12COC(=O)[C@]1([H])[C@H](C3=CC(OC)=C(O)C(O)=C3)C4=CC5=C(OCO5)C=C4[C@H]2O[C@]6([H])O[C@]7([H])CO[C@@H](C)O[C@@]7([H])[C@H](O)[C@H]6O

InChI

InChIKey=CYOJPLOJEPTJMM-FMEAWWTOSA-N
InChI=1S/C28H30O13/c1-10-35-8-19-26(39-10)23(31)24(32)28(40-19)41-25-13-6-17-16(37-9-38-17)5-12(13)20(21-14(25)7-36-27(21)33)11-3-15(29)22(30)18(4-11)34-2/h3-6,10,14,19-21,23-26,28-32H,7-9H2,1-2H3/t10-,14+,19-,20-,21+,23-,24-,25-,26-,28+/m1/s1

HIDE SMILES / InChI

Molecular Formula C28H30O13
Molecular Weight 574.53
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 10 / 10
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 09:12:12 UTC 2023
Edited
by admin
on Sat Dec 16 09:12:12 UTC 2023
Record UNII
RW5CKV6C56
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3'-O-DEMETHYLETOPOSIDE
Common Name English
ETOPOSIDE CATECHOL
Common Name English
FURO(3',4':6,7)NAPHTHO(2,3-D)-1,3-DIOXOL-6(5AH)-ONE, 5-(3,4-DIHYDROXY-5-METHOXYPHENYL)-9-((4,6-O-(1R)-ETHYLIDENE-.BETA.-D-GLUCOPYRANOSYL)OXY)-5,8,8A,9-TETRAHYDRO-, (5R,5AR,8AR,9S)-
Systematic Name English
Code System Code Type Description
CAS
100007-54-3
Created by admin on Sat Dec 16 09:12:13 UTC 2023 , Edited by admin on Sat Dec 16 09:12:13 UTC 2023
PRIMARY
FDA UNII
RW5CKV6C56
Created by admin on Sat Dec 16 09:12:13 UTC 2023 , Edited by admin on Sat Dec 16 09:12:13 UTC 2023
PRIMARY
PUBCHEM
127462
Created by admin on Sat Dec 16 09:12:13 UTC 2023 , Edited by admin on Sat Dec 16 09:12:13 UTC 2023
PRIMARY
EPA CompTox
DTXSID10905158
Created by admin on Sat Dec 16 09:12:13 UTC 2023 , Edited by admin on Sat Dec 16 09:12:13 UTC 2023
PRIMARY
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