4'-DEMETHYL-1-O-(4,6-O-(1-METHYL-4-PIPERIDYLIDENE)-.BETA.-D-GLUCOPYRANOSYL)EPIPODOPHYLLOTOXIN HYDROCHLORIDE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C33H39NO13.ClH
Molecular Weight	694.123
Optical Activity	UNSPECIFIED
Defined Stereocenters	9 / 9
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 4'-DEMETHYL-1-O-(4,6-O-(1-METHYL-4-PIPERIDYLIDENE)-.BETA.-D-GLUCOPYRANOSYL)EPIPODOPHYLLOTOXIN HYDROCHLORIDE

Structure Search

SMILES

Cl.COC1=CC(=CC(OC)=C1O)[C@H]2[C@@H]3[C@H](COC3=O)[C@H](O[C@@H]4O[C@@H]5COC6(CCN(C)CC6)O[C@H]5[C@H](O)[C@H]4O)C7=CC8=C(OCO8)C=C27

InChI

InChIKey=BDVVLVNGXLFJBB-NDCBBRKYSA-N

InChI=1S/C33H39NO13.ClH/c1-34-6-4-33(5-7-34)44-13-23-30(47-33)27(36)28(37)32(45-23)46-29-17-11-20-19(42-14-43-20)10-16(17)24(25-18(29)12-41-31(25)38)15-8-21(39-2)26(35)22(9-15)40-3;/h8-11,18,23-25,27-30,32,35-37H,4-7,12-14H2,1-3H3;1H/t18-,23+,24+,25-,27+,28+,29+,30+,32-;/m0./s1

HIDE SMILES / InChI

Molecular Formula	ClH
Molecular Weight	36.461
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Molecular Formula	C33H39NO13
Molecular Weight	657.6617
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	9 / 9
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Tue Apr 01 19:34:21 GMT 2025` Edited by `admin` on `Tue Apr 01 19:34:21 GMT 2025`
Record UNII	79S57LPX4V
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

4'-DEMETHYL-1-O-(4,6-O-(1-METHYL-4-PIPERIDYLIDENE)-.BETA.-D-GLUCOPYRANOSYL)EPIPODOPHYLLOTOXIN HYDROCHLORIDE

Common Name

English

COMPOUND 27-487

Preferred Name

English

FURO(3',4':6,7)NAPHTHO(2,3-D)-1,3-DIOXOL-6(5AH)-ONE, 5,8,8A,9-TETRAHYDRO-5-(4-HYDROXY-3,5-DIMETHOXYPHENYL)-9-((4,6-O-(1-METHYL-4-PIPERIDINYLIDENE)-.BETA.-D-GLUCOPYRANOSYL)OXY)-, (5R-(5.ALPHA.,5A.BETA.,8A.ALPHA.,9.BETA.))-, HYDROCHLORIDE

Systematic Name

English

NSC-B-116351

Code

English

Code System Code Type Description

FDA UNII

79S57LPX4V

Created by admin on Tue Apr 01 19:34:21 GMT 2025 , Edited by admin on Tue Apr 01 19:34:21 GMT 2025

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CAS

72823-92-8

Created by admin on Tue Apr 01 19:34:21 GMT 2025 , Edited by admin on Tue Apr 01 19:34:21 GMT 2025

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PUBCHEM

192021

Created by admin on Tue Apr 01 19:34:21 GMT 2025 , Edited by admin on Tue Apr 01 19:34:21 GMT 2025

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EPA CompTox

DTXSID30993618

Created by admin on Tue Apr 01 19:34:21 GMT 2025 , Edited by admin on Tue Apr 01 19:34:21 GMT 2025

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