557766-14-0
BENZO[3,4]-18-NORANDROSTA-3,5-DIENE-3(2'H)-CARBOXYLIC ACID, 3',4',5',6'-TETRAHYDRO-17-(HYDROXYIMINO)-4',4',9,14-TETRAMETHYL-, METHYL ESTER, (3BETA,4BETA,8ALPHA,9BETA,10ALPHA,13ALPHA,14BETA)-
NameBENZO[3,4]-18-NORANDROSTA-3,5-DIENE-3(2'H)-CARBOXYLIC ACID, 3',4',5',6'-TETRAHYDRO-17-(HYDROXYIMINO)-4',4',9,14-TETRAMETHYL-, METHYL ESTER, (3BETA,4BETA,8ALPHA,9BETA,10ALPHA,13ALPHA,14BETA)-
1Identification
【Name】
BENZO[3,4]-18-NORANDROSTA-3,5-DIENE-3(2'H)-CARBOXYLIC ACID, 3',4',5',6'-TETRAHYDRO-17-(HYDROXYIMINO)-4',4',9,14-TETRAMETHYL-, METHYL ESTER, (3BETA,4BETA,8ALPHA,9BETA,10ALPHA,13ALPHA,14BETA)-
【CAS】
【MDL】
MFCD22665768
【English Synonyms】
BENZO[3,4]-18-NORANDROSTA-3,5-DIENE-3(2'H)-CARBOXYLIC ACID, 3',4',5',6'-TETRAHYDRO-17-(HYDROXYIMINO)-4',4',9,14-TETRAMETHYL-, METHYL ESTER, (3BETA,4BETA,8ALPHA,9BETA,10ALPHA,13ALPHA,14BETA)-
【Formula】
C28 H43 N O3
【MolWeight】
441.652
【Inchi】
InChI=1S/C28H43NO3/c1-24(2)13-15-28(23(30)32-6)16-14-26(4)18(20(28)17-24)7-8-22-25(3)11-10-21(29-31)19(25)9-12-27(22,26)5/h7,19-20,22,31H,8-17H2,1-6H3/b29-21+/t19-,20-,22+,25-,26+,27+,28-/m0/s1
【InChIKey】
InChIKey=UKXCLLYLCRBBDH-IIINPDGDSA-N
【SMILES】
CC1(CC[C@@]2(CC[C@@]3(C(=CC[C@H]4[C@]3(CC[C@@H]\5[C@@]4(CC/C5=N\O)C)C)[C@@H]2C1)C)C(=O)OC)C
【MOL File】
BENZO[3,4]-18-NORAND….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:4
XLogP3:6.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
BENZO[3,4]-18-NORANDROSTA-3,5-DIENE-3(2'H)-CARBOXYLIC ACID, 3',4',5',6'-TETRAHYDRO-17-(HYDROXYIMINO)-4',4',9,14-TETRAMETHYL-, METHYL ESTER, (3BETA,4BETA,8ALPHA,9BETA,10ALPHA,13ALPHA,14BETA)-.cml