CAS
98072-22-1 Purity
96%
98072-22-1 Purity
96%
![Benzoic acid,2-amino-,diazotized,coupled with 4-amino-5-hydroxy-2,7-naphthalenedisulfonic acid,diazotized 3,3'-dimethyl[1,1'-biphenyl]-4,4'-diamine and 5,5'-[oxybis[(5-hydroxy-3,1-phenylene)oxy]]b](https://resource.alfa-chemistry.com/structure/98072-80-1.gif)
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Ethyl(17-azido-3beta,16alpha-dihydroxypregn-5-en-20-ylidene)carbazate
CAS
98072-26-5
Catalog Number
ACM98072265
Category
Other Products
Molecular Weight
459.581680 [g/mol]
Molecular Formula
C24H37N5O4
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Specification
Synonyms
EINECS 308-476-4, CID9576633, Ethyl (17-azido-3beta,16alpha-dihydroxypregn-5-en-20-ylidene)carbazate, 98072-26-5
IUPAC Name
ethyl N-[(E)-1-(17-azido-3,16-dihydroxy-10,13-dimethyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-yl)ethylideneamino]carbamate
Canonical SMILES
CCOC(=O)NN=C(C)C1(C(CC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C)O)N=[N+]=[N-]
InChI Key
STCBBMFHAJQVTA-VULFUBBASA-N
EC Number
308-476-4
Exact Mass
459.28500
H-Bond Acceptor
7
H-Bond Donor
3
What is the molecular formula of Ethyl(17-azido-3beta,16alpha-dihydroxypregn-5-en-20-ylidene)carbazate?
The molecular formula is C24H37N5O4.
What are the synonyms of Ethyl(17-azido-3beta,16alpha-dihydroxypregn-5-en-20-ylidene)carbazate?
The synonyms are "Ethyl(17-azido-3beta,16alpha-dihydroxypregn-5-en-20-ylidene)carbazate".
What is the molecular weight of Ethyl(17-azido-3beta,16alpha-dihydroxypregn-5-en-20-ylidene)carbazate?
The molecular weight is 459.6 g/mol.
When was Ethyl(17-azido-3beta,16alpha-dihydroxypregn-5-en-20-ylidene)carbazate created?
It was created on February 16, 2015.
When was Ethyl(17-azido-3beta,16alpha-dihydroxypregn-5-en-20-ylidene)carbazate last modified?
It was last modified on December 30, 2023.
What is the IUPAC name of Ethyl(17-azido-3beta,16alpha-dihydroxypregn-5-en-20-ylidene)carbazate?
The IUPAC name is ethyl N-[(E)-1-[(3S,10R,13S,16R,17R)-17-azido-3,16-dihydroxy-10,13-dimethyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-yl]ethylideneamino]carbamate.
What is the InChI of Ethyl(17-azido-3beta,16alpha-dihydroxypregn-5-en-20-ylidene)carbazate?
The InChI is InChI=1S/C24H37N5O4/c1-5-33-21(32)27-26-14(2)24(28-29-25)20(31)13-19-17-7-6-15-12-16(30)8-10-22(15,3)18(17)9-11-23(19,24)4/h6,16-20,30-31H,5,7-13H2,1-4H3,(H,27,32)/b26-14+/t16-,17?,18?,19?,20+,22-,23-,24+/m0/s1.
What is the InChIKey of Ethyl(17-azido-3beta,16alpha-dihydroxypregn-5-en-20-ylidene)carbazate?
The InChIKey is STCBBMFHAJQVTA-NDLITRLZSA-N.
What is the Canonical SMILES of Ethyl(17-azido-3beta,16alpha-dihydroxypregn-5-en-20-ylidene)carbazate?
The Canonical SMILES is CCOC(=O)NN=C(C)C1(C(CC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C)O)N=[N+]=[N-].
What is the Isomeric SMILES of Ethyl(17-azido-3beta,16alpha-dihydroxypregn-5-en-20-ylidene)carbazate?
The Isomeric SMILES is CCOC(=O)N/N=C(\C)/[C@]1([C@@H](CC2[C@@]1(CCC3C2CC=C4[C@@]3(CC[C@@H](C4)O)C)C)O)N=[N+]=[N-].
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