Hexanoic acid, 6-[[3-[(3,20-dioxopregn-4-en-4-yl)thio]-1-oxopropyl]amino]-

CAS Registry Number®

455333-63-8
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CAS Name

Hexanoic acid, 6-[[3-[(3,20-dioxopregn-4-en-4-yl)thio]-1-oxopropyl]amino]-

Molecular Formula

C30H45NO5S

Molecular Mass

531.75

Cite this Page

Hexanoic acid, 6-[[3-[(3,20-dioxopregn-4-en-4-yl)thio]-1-oxopropyl]amino]-.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=455333-63-8 (retrieved 2024-09-21) (CAS RN: 455333-63-8).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C30H45NO5S/c1-19(32)21-10-11-22-20-8-9-24-28(37-18-14-26(34)31-17-6-4-5-7-27(35)36)25(33)13-16-30(24,3)23(20)12-15-29(21,22)2/h20-23H,4-18H2,1-3H3,(H,31,34)(H,35,36)/t20-,21+,22-,23-,29+,30+/m0/s1

InChIKey

InChIKey=HTYZSQJQMYZWSD-AOPJIFPQSA-N

SMILES

C[C@@]12[C@@]3([C@]([C@]4([C@](C)(CC3)[C@@H](C(C)=O)CC4)[H])(CCC1=C(SCCC(NCCCCCC(O)=O)=O)C(=O)CC2)[H])[H]

Canonical SMILES

O=C(O)CCCCCNC(=O)CCSC=1C(=O)CCC2(C1CCC3C2CCC4(C)C(C(=O)C)CCC34)C

Other Names for this Substance

  • Hexanoic acid, 6-[[3-[(3,20-dioxopregn-4-en-4-yl)thio]-1-oxopropyl]amino]-